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

Systemtic Name: methyl 2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-oxo-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate CAS Name: 2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetic acid methyl ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)OC

InChI

InChI=1S/C15H14N4O3S/c1-9-3-5-10(6-4-9)19-13-11(7-16-19)14(21)18-15(17-13)23-8-12(20)22-2/h3-7,16H,8H2,1-2H3