methyl 4-[(6-phenylpyrimidin-4-yl)amino]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2)C3=CC=CC=C3

InChI

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