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

Systemtic Name: 3-[(6-methyl-4-oxidanylidene-5-propyl-1H-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[(6-methyl-4-oxo-5-propyl-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(6-methyl-4-oxo-5-propyl-1H-pyrimidin-2-yl)amino]benzoic acid IUPAC Name: 3-[(6-methyl-4-oxo-5-propyl-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[(4-keto-6-methyl-5-propyl-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=NC1=O)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CCCC1=C(NC(=NC1=O)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C15H17N3O3/c1-3-5-12-9(2)16-15(18-13(12)19)17-11-7-4-6-10(8-11)14(20)21/h4,6-8H,3,5H2,1-2H3,(H,20,21)(H2,16,17,18,19)