ethyl 2-[1-(2-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoate

Systemtic Name: ethyl 2-[1-(2-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[1-(o-tolyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetate CAS Name: 2-[1-(2-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate Traditional Name: 2-[4-keto-1-(o-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetic acid ethyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3C

InChI

InChI=1S/C16H16N4O3/c1-3-23-14(21)9-19-10-17-15-12(16(19)22)8-18-20(15)13-7-5-4-6-11(13)2/h4-8,10H,3,9H2,1-2H3