2-chloranyl-9-cyclopentyl-N-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]purin-6-amine

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[4-[(3-methoxyphenyl)methyl]-1-piperidyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[4-[(3-methoxyphenyl)methyl]-1-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-(4-m-anisylpiperidino)amine Formula: C23H29ClN6O MolecularWeight: 440.96896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)Cl

InChI

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