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

Systemtic Name: 3-[[5-[(2,5-dimethylphenyl)methyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(2,5-dimethylphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(2,5-dimethylphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[5-[(2,5-dimethylphenyl)methyl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(2,5-dimethylbenzyl)-4-hydroxy-6-keto-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(N=C(NC2=O)NC3=CC=CC(=C3)C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(N=C(NC2=O)NC3=CC=CC(=C3)C(=O)O)O

InChI

InChI=1S/C20H19N3O4/c1-11-6-7-12(2)14(8-11)10-16-17(24)22-20(23-18(16)25)21-15-5-3-4-13(9-15)19(26)27/h3-9H,10H2,1-2H3,(H,26,27)(H3,21,22,23,24,25)