2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)-3-keto-butyronitrile Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C21H19N5O2S/c1-4-13-9-14-19(29-13)23-12-26(21(14)28)11-18(27)15(10-22)20-24(2)16-7-5-6-8-17(16)25(20)3/h5-9,12H,4,11H2,1-3H3