N-(3-chlorophenyl)-9-cyclopropyl-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine

Systemtic Name: N-(3-chlorophenyl)-9-cyclopropyl-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine Openeye Name: N-(3-chlorophenyl)-9-cyclopropyl-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine CAS Name: N-(3-chlorophenyl)-9-cyclopropyl-8-[2-(methylamino)-4-pyrimidinyl]-2-purinamine IUPAC Name: N-(3-chlorophenyl)-9-cyclopropyl-8-[2-(methylamino)pyrimidin-4-yl]purin-2-amine Traditional Name: [4-[2-(3-chloroanilino)-9-cyclopropyl-purin-8-yl]pyrimidin-2-yl]-methyl-amine Formula: C19H17ClN8 MolecularWeight: 392.84488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=N1)C2=NC3=CN=C(N=C3N2C4CC4)NC5=CC(=CC=C5)Cl

Isomeric SMILES

CNC1=NC=CC(=N1)C2=NC3=CN=C(N=C3N2C4CC4)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C19H17ClN8/c1-21-18-22-8-7-14(26-18)16-25-15-10-23-19(24-12-4-2-3-11(20)9-12)27-17(15)28(16)13-5-6-13/h2-4,7-10,13H,5-6H2,1H3,(H,21,22,26)(H,23,24,27)