4-[(6-azanyl-4-cyano-2-oxidanylidene-1-phenyl-pyrimidin-5-yl)iminomethyl]benzoic acid

Systemtic Name: 4-[(6-azanyl-4-cyano-2-oxidanylidene-1-phenyl-pyrimidin-5-yl)iminomethyl]benzoic acid Openeye Name: 4-[(6-amino-4-cyano-2-oxo-1-phenyl-pyrimidin-5-yl)iminomethyl]benzoic acid CAS Name: 4-[(6-amino-4-cyano-2-oxo-1-phenyl-5-pyrimidinyl)iminomethyl]benzoic acid IUPAC Name: 4-[(6-amino-4-cyano-2-oxo-1-phenylpyrimidin-5-yl)iminomethyl]benzoic acid Traditional Name: 4-[(6-amino-4-cyano-2-keto-1-phenyl-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)N2C(=C(C(=NC2=O)C#N)N=CC3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=NC2=O)C#N)N=CC3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C19H13N5O3/c20-10-15-16(22-11-12-6-8-13(9-7-12)18(25)26)17(21)24(19(27)23-15)14-4-2-1-3-5-14/h1-9,11H,21H2,(H,25,26)