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

Systemtic Name: 4-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-(4-fluorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C19H16FN3O3 MolecularWeight: 353.347043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN3O3/c1-11-16(10-12-2-6-14(20)7-3-12)17(24)23-19(21-11)22-15-8-4-13(5-9-15)18(25)26/h2-9H,10H2,1H3,(H,25,26)(H2,21,22,23,24)