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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4

InChI

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