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

Systemtic Name: 3-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=CC(=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3/c1-12-16(10-13-6-3-2-4-7-13)17(23)22-19(20-12)21-15-9-5-8-14(11-15)18(24)25/h2-9,11H,10H2,1H3,(H,24,25)(H2,20,21,22,23)