N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[[2-(3-pyridyl)pyrimidin-4-yl]amino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[2-(3-pyridinyl)-4-pyrimidinyl]amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[[2-(3-pyridyl)pyrimidin-4-yl]amino]methyl]benzamide Formula: C23H20N6O MolecularWeight: 396.4445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC(=NC=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC(=NC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H20N6O/c24-19-5-1-2-6-20(19)28-23(30)17-9-7-16(8-10-17)14-27-21-11-13-26-22(29-21)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)