[4-[(6-methylpyrimidin-4-yl)amino]phenyl] benzoate

Systemtic Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] benzoate Openeye Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] benzoate CAS Name: benzoic acid [4-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-methylpyrimidin-4-yl)amino]phenyl] benzoate Traditional Name: benzoic acid [4-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C18H15N3O2 MolecularWeight: 305.3306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O2/c1-13-11-17(20-12-19-13)21-15-7-9-16(10-8-15)23-18(22)14-5-3-2-4-6-14/h2-12H,1H3,(H,19,20,21)