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

Systemtic Name: 3-[(5-butyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid IUPAC Name: 3-[(5-butyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[(5-butyl-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:

CCCCC1=C(NC(=NC1=O)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C16H19N3O3/c1-3-4-8-13-10(2)17-16(19-14(13)20)18-12-7-5-6-11(9-12)15(21)22/h5-7,9H,3-4,8H2,1-2H3,(H,21,22)(H2,17,18,19,20)