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

Systemtic Name: 3-[[6-methyl-5-(2-methylpropyl)-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[(5-isobutyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[[6-methyl-5-(2-methylpropyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[6-methyl-5-(2-methylpropyl)-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[(5-isobutyl-4-keto-6-methyl-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O)CC(C)C

InChI

InChI=1S/C16H19N3O3/c1-9(2)7-13-10(3)17-16(19-14(13)20)18-12-6-4-5-11(8-12)15(21)22/h4-6,8-9H,7H2,1-3H3,(H,21,22)(H2,17,18,19,20)