2-chloranyl-9-cyclopentyl-N-[4-[(2-methylphenyl)methyl]piperidin-1-yl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[4-[(2-methylphenyl)methyl]piperidin-1-yl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[4-(o-tolylmethyl)-1-piperidyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[4-[(2-methylphenyl)methyl]-1-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[4-[(2-methylphenyl)methyl]piperidin-1-yl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[4-(2-methylbenzyl)piperidino]amine Formula: C23H29ClN6 MolecularWeight: 424.96956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

Isomeric SMILES

CC1=CC=CC=C1CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

InChI

InChI=1S/C23H29ClN6/c1-16-6-2-3-7-18(16)14-17-10-12-29(13-11-17)28-21-20-22(27-23(24)26-21)30(15-25-20)19-8-4-5-9-19/h2-3,6-7,15,17,19H,4-5,8-14H2,1H3,(H,26,27,28)