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

Systemtic Name: (phenylmethyl) 2-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butanoate Openeye Name: benzyl 2-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butanoate CAS Name: 2-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)butanoate Traditional Name: 2-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butyric acid benzyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=CC=CC=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)OCC1=CC=CC=C1)N2C(=NC3=C(C2=O)C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C23H22N4O3/c1-3-20(23(29)30-15-17-10-6-4-7-11-17)26-16(2)25-21-19(22(26)28)14-24-27(21)18-12-8-5-9-13-18/h4-14,20H,3,15H2,1-2H3