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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2CC(CCN2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CC2CC(CCN2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

InChI

InChI=1S/C23H29ClN6/c1-15-6-8-16(9-7-15)12-18-13-17(10-11-25-18)27-21-20-22(29-23(24)28-21)30(14-26-20)19-4-2-3-5-19/h6-9,14,17-19,25H,2-5,10-13H2,1H3,(H,27,28,29)