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

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ChEBI Name 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]-3-oxobutanenitrile
ChEBI ID CHEBI:105956
Stars This entity has been manually annotated by a third party.
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Formula C21H19N5OS2
Net Charge 0
Average Mass 421.541
Monoisotopic Mass 421.10310
InChI InChI=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
InChIKey HVSVZPXQJNTHBO-UHFFFAOYSA-N
SMILES CCC1=CC2=C(S1)N=CN=C2SCC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N
ChEBI Ontology
Outgoing 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)
Manual Xref Database
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Last Modified
06 March 2019