<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>68(Pt 6)</volume><submitter>Li HX</submitter><pubmed_abstract>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 mol-ecules 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 mol-ecules.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1821</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3379395</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Ethyl 2-methyl-6-(propan-2-yl-amino)-4-sulfanyl-idene-3H,11H-pyrimido[1,6-c]quinazoline-1-carboxyl-ate.</pubmed_title><pmcid>PMC3379395</pmcid><pubmed_authors>Wang HM</pubmed_authors><pubmed_authors>Song YS</pubmed_authors><pubmed_authors>Qu YN</pubmed_authors><pubmed_authors>Lu JB</pubmed_authors><pubmed_authors>Li HX</pubmed_authors></additional><is_claimable>false</is_claimable><name>Ethyl 2-methyl-6-(propan-2-yl-amino)-4-sulfanyl-idene-3H,11H-pyrimido[1,6-c]quinazoline-1-carboxyl-ate.</name><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 mol-ecules 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 mol-ecules.</description><dates><release>2012-01-01T00:00:00Z</release><publication>2012 Jun</publication><modification>2021-02-21T04:03:31Z</modification><creation>2019-03-27T00:54:44Z</creation></dates><accession>S-EPMC3379395</accession><cross_references><pubmed>22719593</pubmed><doi>10.1107/S1600536812019952</doi></cross_references></HashMap>