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

Systemtic Name: ethyl 2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H16N4O3S/c1-3-23-13(21)9-24-16-18-14-12(15(22)19-16)8-17-20(14)11-6-4-10(2)5-7-11/h4-8,17H,3,9H2,1-2H3