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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyric acid methyl ester Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C18H16N6O3S/c1-24-16-10(7-21-24)17(20-9-19-16)28-8-13(25)14(18(26)27-2)15-22-11-5-3-4-6-12(11)23-15/h3-7,9,22-23H,8H2,1-2H3