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

Systemtic Name: 3-[(6-methyl-4-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid IUPAC Name: 3-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[(5-amyl-4-keto-6-methyl-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C17H21N3O3/c1-3-4-5-9-14-11(2)18-17(20-15(14)21)19-13-8-6-7-12(10-13)16(22)23/h6-8,10H,3-5,9H2,1-2H3,(H,22,23)(H2,18,19,20,21)