4-[(Z)-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzoic acid

Systemtic Name: 4-[(Z)-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzoic acid Openeye Name: 4-[(Z)-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzoic acid CAS Name: 4-[(Z)-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)iminomethyl]benzoic acid IUPAC Name: 4-[(Z)-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzoic acid Traditional Name: 4-[(Z)-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)iminomethyl]benzoic acid Formula: C19H13N5O3 MolecularWeight: 359.33822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)N=CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)/N=C\C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H13N5O3/c25-18-16-11-22-24(15-4-2-1-3-5-15)17(16)20-12-23(18)21-10-13-6-8-14(9-7-13)19(26)27/h1-12H,(H,26,27)/b21-10-