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

Systemtic Name: (4-cyanophenyl) 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (4-cyanophenyl) 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid (4-cyanophenyl) ester Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O3/c1-20-15-13(9-19-20)16(23)21(10-18-15)7-6-14(22)24-12-4-2-11(8-17)3-5-12/h2-5,9-10H,6-7H2,1H3