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

Systemtic Name: (phenylmethyl) 2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: benzyl 2-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetate Traditional Name: 2-(4-keto-6-methyl-1-phenyl-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=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC(=O)OCC4=CC=CC=C4

InChI

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