methyl 2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetic acid methyl ester Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C=NN2)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC2=C(C=NN2)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C14H12N4O3S/c1-21-11(19)8-22-14-16-12-10(7-15-17-12)13(20)18(14)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,15,17)