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CHEBI:105956 - 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile

Default Structure
ChEBI IDCHEBI:105956
ChEBI Name2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile
Stars
Last Modified6 March 2019
DownloadsMolfile
FormulaC21H19N5OS2
Net Charge0
Average Mass421.551
Monoisotopic Mass421.10310
SMILESCCc1cc2c(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)ncnc2s1
InChIInChI=1S/C21H19N5OS2/c1-4-13-9-14-19(23-12-24-20(14)29-13)28-11-18(27)15(10-22)21-25(2)16-7-5-6-8-17(16)26(21)3/h5-9,12H,4,11H2,1-3H3
InChIKeyHVSVZPXQJNTHBO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile (CHEBI:105956) is a organic heterobicyclic compound (CHEBI:27171)
2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile (CHEBI:105956) is a organonitrogen heterocyclic compound (CHEBI:38101)
2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile (CHEBI:105956) is a organosulfur heterocyclic compound (CHEBI:38106)
2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile (CHEBI:105956) is a thienopyrimidine (CHEBI:143212)
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