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

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[2-[(3-fluorophenyl)methyl]piperidin-4-yl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[2-[(3-fluorophenyl)methyl]-4-piperidyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[2-[(3-fluorophenyl)methyl]-4-piperidinyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[2-[(3-fluorophenyl)methyl]piperidin-4-yl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-[2-(3-fluorobenzyl)-4-piperidyl]amine Formula: C22H26ClFN6 MolecularWeight: 428.933443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCNC(C4)CC5=CC(=CC=C5)F)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCNC(C4)CC5=CC(=CC=C5)F)Cl

InChI

InChI=1S/C22H26ClFN6/c23-22-28-20(19-21(29-22)30(13-26-19)18-6-1-2-7-18)27-16-8-9-25-17(12-16)11-14-4-3-5-15(24)10-14/h3-5,10,13,16-18,25H,1-2,6-9,11-12H2,(H,27,28,29)