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

Systemtic Name: (phenylmethyl) 2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoate Openeye Name: benzyl 2-[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetate CAS Name: 2-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate Traditional Name: 2-[4-keto-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetic acid benzyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3/c1-15-7-9-17(10-8-15)25-20-18(11-23-25)21(27)24(14-22-20)12-19(26)28-13-16-5-3-2-4-6-16/h2-11,14H,12-13H2,1H3