methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyric acid methyl ester Formula: C23H18N6O3S MolecularWeight: 458.49242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H18N6O3S/c1-32-23(31)19(20-27-16-9-5-6-10-17(16)28-20)18(30)12-33-22-15-11-26-29(21(15)24-13-25-22)14-7-3-2-4-8-14/h2-11,13,27-28H,12H2,1H3