methyl 2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]butanoate

Systemtic Name: methyl 2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]butanoate Openeye Name: methyl 2-[[4-oxo-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]butanoate CAS Name: 2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]butanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]butanoate Traditional Name: 2-[[4-keto-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]butyric acid methyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)OC)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C

InChI

InChI=1S/C17H18N4O3S/c1-4-13(16(23)24-3)25-17-19-14-12(15(22)20-17)9-18-21(14)11-7-5-10(2)6-8-11/h5-9,13,18H,4H2,1-3H3