3-[[5-[(4-chlorophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[5-[(4-chlorophenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[5-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(4-chlorobenzyl)-4-hydroxy-6-keto-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C18H14ClN3O4/c19-12-6-4-10(5-7-12)8-14-15(23)21-18(22-16(14)24)20-13-3-1-2-11(9-13)17(25)26/h1-7,9H,8H2,(H,25,26)(H3,20,21,22,23,24)