Ethyl 2-methyl-6-(propan-2-yl­amino)-4-sulfanyl­idene-3H,11H-pyrimido[1,6-c]quinazoline-1-carboxyl­ate

The title compound, C(18)H(22)N(4)O(2)S, contains a substituted pyrimidine ring fused to both a benzene ring and a substituted thioxopyrimidine ring. The pyrimidine and thioxopyrimidine rings adopt distorted chair conformations. In the crystal, adjacent mol­ecules are linked by pairs of N—H⋯S and N—...

Descripción completa

Detalles Bibliográficos
Autores principales: Li, Hong-Xia, Song, Yu-Su, Qu, Yong-nian, Lu, Jiang-Bing, Wang, Hong-Mei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379395/
https://www.ncbi.nlm.nih.gov/pubmed/22719593
http://dx.doi.org/10.1107/S1600536812019952
_version_ 1782236190195318784
author Li, Hong-Xia
Song, Yu-Su
Qu, Yong-nian
Lu, Jiang-Bing
Wang, Hong-Mei
author_facet Li, Hong-Xia
Song, Yu-Su
Qu, Yong-nian
Lu, Jiang-Bing
Wang, Hong-Mei
author_sort Li, Hong-Xia
collection PubMed
description The title compound, C(18)H(22)N(4)O(2)S, contains a substituted pyrimidine ring fused to both a benzene ring and a substituted thioxopyrimidine ring. The pyrimidine and thioxopyrimidine rings adopt distorted chair conformations. In the crystal, adjacent mol­ecules are linked by pairs of N—H⋯S and N—H⋯O hydrogen bonds to generate centrosymmetric R (2) (2)(8) and R (2) (2)(16) loops, respectively. This combination leads to [100] chains of mol­ecules.
format Online
Article
Text
id pubmed-3379395
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33793952012-06-20 Ethyl 2-methyl-6-(propan-2-yl­amino)-4-sulfanyl­idene-3H,11H-pyrimido[1,6-c]quinazoline-1-carboxyl­ate Li, Hong-Xia Song, Yu-Su Qu, Yong-nian Lu, Jiang-Bing Wang, Hong-Mei Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(18)H(22)N(4)O(2)S, contains a substituted pyrimidine ring fused to both a benzene ring and a substituted thioxopyrimidine ring. The pyrimidine and thioxopyrimidine rings adopt distorted chair conformations. In the crystal, adjacent mol­ecules are linked by pairs of N—H⋯S and N—H⋯O hydrogen bonds to generate centrosymmetric R (2) (2)(8) and R (2) (2)(16) loops, respectively. This combination leads to [100] chains of mol­ecules. International Union of Crystallography 2012-05-19 /pmc/articles/PMC3379395/ /pubmed/22719593 http://dx.doi.org/10.1107/S1600536812019952 Text en © Li et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Li, Hong-Xia
Song, Yu-Su
Qu, Yong-nian
Lu, Jiang-Bing
Wang, Hong-Mei
Ethyl 2-methyl-6-(propan-2-yl­amino)-4-sulfanyl­idene-3H,11H-pyrimido[1,6-c]quinazoline-1-carboxyl­ate
title Ethyl 2-methyl-6-(propan-2-yl­amino)-4-sulfanyl­idene-3H,11H-pyrimido[1,6-c]quinazoline-1-carboxyl­ate
title_full Ethyl 2-methyl-6-(propan-2-yl­amino)-4-sulfanyl­idene-3H,11H-pyrimido[1,6-c]quinazoline-1-carboxyl­ate
title_fullStr Ethyl 2-methyl-6-(propan-2-yl­amino)-4-sulfanyl­idene-3H,11H-pyrimido[1,6-c]quinazoline-1-carboxyl­ate
title_full_unstemmed Ethyl 2-methyl-6-(propan-2-yl­amino)-4-sulfanyl­idene-3H,11H-pyrimido[1,6-c]quinazoline-1-carboxyl­ate
title_short Ethyl 2-methyl-6-(propan-2-yl­amino)-4-sulfanyl­idene-3H,11H-pyrimido[1,6-c]quinazoline-1-carboxyl­ate
title_sort ethyl 2-methyl-6-(propan-2-yl­amino)-4-sulfanyl­idene-3h,11h-pyrimido[1,6-c]quinazoline-1-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379395/
https://www.ncbi.nlm.nih.gov/pubmed/22719593
http://dx.doi.org/10.1107/S1600536812019952
work_keys_str_mv AT lihongxia ethyl2methyl6propan2ylamino4sulfanylidene3h11hpyrimido16cquinazoline1carboxylate
AT songyusu ethyl2methyl6propan2ylamino4sulfanylidene3h11hpyrimido16cquinazoline1carboxylate
AT quyongnian ethyl2methyl6propan2ylamino4sulfanylidene3h11hpyrimido16cquinazoline1carboxylate
AT lujiangbing ethyl2methyl6propan2ylamino4sulfanylidene3h11hpyrimido16cquinazoline1carboxylate
AT wanghongmei ethyl2methyl6propan2ylamino4sulfanylidene3h11hpyrimido16cquinazoline1carboxylate

Ejemplares similares