methyl 4-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzoate

Systemtic Name: methyl 4-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzoate Openeye Name: methyl 4-[[4-(2-pyridyl)pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(2-pyridinyl)-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzoate Traditional Name: 4-[[4-(2-pyridyl)pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C17H14N4O2 MolecularWeight: 306.31866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CC=CC=N3

InChI

InChI=1S/C17H14N4O2/c1-23-16(22)12-5-7-13(8-6-12)20-17-19-11-9-15(21-17)14-4-2-3-10-18-14/h2-11H,1H3,(H,19,20,21)