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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-10(2)7-8-14-11(3)18-17(20-15(14)21)19-13-6-4-5-12(9-13)16(22)23/h4-6,9-10H,7-8H2,1-3H3,(H,22,23)(H2,18,19,20,21)