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

Systemtic Name: methyl 2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanoate Openeye Name: methyl 2-[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]propanoate CAS Name: 2-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanoic acid methyl ester IUPAC Name: methyl 2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanoate Traditional Name: 2-[4-keto-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]propionic acid methyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)C(C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)C(C)C(=O)OC

InChI

InChI=1S/C16H16N4O3/c1-10-4-6-12(7-5-10)20-14-13(8-18-20)15(21)19(9-17-14)11(2)16(22)23-3/h4-9,11H,1-3H3