N-[[3,4-bis(fluoranyl)phenyl]methyl]-9-cyclopentyl-N-piperidin-1-yl-6H-purin-1-amine trihydrochloride

Systemtic Name: N-[[3,4-bis(fluoranyl)phenyl]methyl]-9-cyclopentyl-N-piperidin-1-yl-6H-purin-1-amine trihydrochloride Openeye Name: 9-cyclopentyl-N-[(3,4-difluorophenyl)methyl]-N-(1-piperidyl)-6H-purin-1-amine trihydrochloride CAS Name: 9-cyclopentyl-N-[(3,4-difluorophenyl)methyl]-N-(1-piperidinyl)-6H-purin-1-amine trihydrochloride IUPAC Name: 9-cyclopentyl-N-[(3,4-difluorophenyl)methyl]-N-piperidin-1-yl-6H-purin-1-amine trihydrochloride Traditional Name: (9-cyclopentyl-6H-purin-1-yl)-(3,4-difluorobenzyl)-piperidino-amine trihydrochloride Formula: C22H31Cl3F2N6 MolecularWeight: 523.877546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)N(CC2=CC(=C(C=C2)F)F)N3CC4=C(N=C3)N(C=N4)C5CCCC5.Cl.Cl.Cl

Isomeric SMILES

C1CCN(CC1)N(CC2=CC(=C(C=C2)F)F)N3CC4=C(N=C3)N(C=N4)C5CCCC5.Cl.Cl.Cl

InChI

InChI=1S/C22H28F2N6.3ClH/c23-19-9-8-17(12-20(19)24)13-30(27-10-4-1-5-11-27)28-14-21-22(26-15-28)29(16-25-21)18-6-2-3-7-18;;;/h8-9,12,15-16,18H,1-7,10-11,13-14H2;3*1H