2-[[2-[(2-methyl-3-oxidanyl-phenyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-[(2-methyl-3-oxidanyl-phenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(3-hydroxy-2-methyl-anilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(3-hydroxy-2-methylanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-hydroxy-2-methylanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(3-hydroxy-2-methyl-anilino)pyrimidin-4-yl]amino]benzoic acid Formula: C18H16N4O3 MolecularWeight: 336.34464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1O)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H16N4O3/c1-11-13(7-4-8-15(11)23)21-18-19-10-9-16(22-18)20-14-6-3-2-5-12(14)17(24)25/h2-10,23H,1H3,(H,24,25)(H2,19,20,21,22)