2-[2-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-oxo-2-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetic acid CAS Name: 2-[2-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetic acid IUPAC Name: 2-[2-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-keto-2-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetic acid Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C3C(=N2)N=CN(C3=O)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C3C(=N2)N=CN(C3=O)CC(=O)O

InChI

InChI=1S/C14H12N4O3/c1-9-2-4-10(5-3-9)18-6-11-13(16-18)15-8-17(14(11)21)7-12(19)20/h2-6,8H,7H2,1H3,(H,19,20)