methyl 4-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[(4-amino-5-cyano-2-pyrimidinyl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C17H14N6O3S MolecularWeight: 382.39646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H14N6O3S/c1-26-16(25)13(15-21-10-4-2-3-5-11(10)22-15)12(24)8-27-17-20-7-9(6-18)14(19)23-17/h2-5,7,21-22H,8H2,1H3,(H2,19,20,23)