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

Systemtic Name: 5-[[5-[(2,4-dimethylphenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[5-[(2,4-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[5-[(2,4-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[5-[(2,4-dimethylphenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[5-(2,4-dimethylbenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]-2-hydroxy-benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-11-4-5-14(12(2)8-11)9-16-13(3)22-21(24-19(16)26)23-15-6-7-18(25)17(10-15)20(27)28/h4-8,10,25H,9H2,1-3H3,(H,27,28)(H2,22,23,24,26)