2-chloranyl-9-cyclopentyl-N-[2-[(3-methoxyphenyl)methyl]piperidin-4-yl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[2-[(3-methoxyphenyl)methyl]piperidin-4-yl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[2-[(3-methoxyphenyl)methyl]-4-piperidyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[2-[(3-methoxyphenyl)methyl]-4-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[2-[(3-methoxyphenyl)methyl]piperidin-4-yl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-(2-m-anisyl-4-piperidyl)amine Formula: C23H29ClN6O MolecularWeight: 440.96896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2CC(CCN2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CC2CC(CCN2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

InChI

InChI=1S/C23H29ClN6O/c1-31-19-8-4-5-15(12-19)11-17-13-16(9-10-25-17)27-21-20-22(29-23(24)28-21)30(14-26-20)18-6-2-3-7-18/h4-5,8,12,14,16-18,25H,2-3,6-7,9-11,13H2,1H3,(H,27,28,29)