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

Systemtic Name: (4-cyanophenyl) 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: (4-cyanophenyl) 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-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 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-cyanophenyl) ester Formula: C15H11N5O3 MolecularWeight: 309.27954

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O3/c1-19-14-12(7-18-19)15(22)20(9-17-14)8-13(21)23-11-4-2-10(6-16)3-5-11/h2-5,7,9H,8H2,1H3