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

Systemtic Name: 3-[[5-[(2,5-dimethylphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[5-[(2,5-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-[(2,5-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[5-[(2,5-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(2,5-dimethylbenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-12-7-8-13(2)16(9-12)11-18-14(3)22-21(24-19(18)25)23-17-6-4-5-15(10-17)20(26)27/h4-10H,11H2,1-3H3,(H,26,27)(H2,22,23,24,25)