N-(2-aminophenyl)-4-[[[4-chloranyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[[[4-chloranyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[[4-chloro-6-(3-pyridylmethylamino)pyrimidin-2-yl]amino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[4-chloro-6-(3-pyridinylmethylamino)-2-pyrimidinyl]amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[[4-chloro-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[[4-chloro-6-(3-pyridylmethylamino)pyrimidin-2-yl]amino]methyl]benzamide Formula: C24H22ClN7O MolecularWeight: 459.93078

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(=CC(=N3)Cl)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC(=CC(=N3)Cl)NCC4=CN=CC=C4

InChI

InChI=1S/C24H22ClN7O/c25-21-12-22(28-15-17-4-3-11-27-13-17)32-24(31-21)29-14-16-7-9-18(10-8-16)23(33)30-20-6-2-1-5-19(20)26/h1-13H,14-15,26H2,(H,30,33)(H2,28,29,31,32)