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

Systemtic Name: (4-phenylmethoxyphenyl) 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: (4-benzyloxyphenyl) 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-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 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-benzoxyphenyl) ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O4/c1-24-20-18(11-23-24)21(27)25(14-22-20)12-19(26)29-17-9-7-16(8-10-17)28-13-15-5-3-2-4-6-15/h2-11,14H,12-13H2,1H3