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

Systemtic Name: 3-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[5-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(4-chlorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C19H16ClN3O3 MolecularWeight: 369.80164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN3O3/c1-11-16(9-12-5-7-14(20)8-6-12)17(24)23-19(21-11)22-15-4-2-3-13(10-15)18(25)26/h2-8,10H,9H2,1H3,(H,25,26)(H2,21,22,23,24)