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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClN6O/c1-31-19-8-6-15(7-9-19)12-17-13-16(10-11-25-17)27-21-20-22(29-23(24)28-21)30(14-26-20)18-4-2-3-5-18/h6-9,14,16-18,25H,2-5,10-13H2,1H3,(H,27,28,29)