N-[2-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperidin-1-yl]-9-cyclopentyl-purin-2-amine

Systemtic Name: N-[2-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperidin-1-yl]-9-cyclopentyl-purin-2-amine Openeye Name: N-[2-[(2-chloro-4-fluoro-phenyl)methyl]-1-piperidyl]-9-cyclopentyl-purin-2-amine CAS Name: N-[2-[(2-chloro-4-fluorophenyl)methyl]-1-piperidinyl]-9-cyclopentyl-2-purinamine IUPAC Name: N-[2-[(2-chloro-4-fluorophenyl)methyl]piperidin-1-yl]-9-cyclopentylpurin-2-amine Traditional Name: [2-(2-chloro-4-fluoro-benzyl)piperidino]-(9-cyclopentylpurin-2-yl)amine Formula: C22H26ClFN6 MolecularWeight: 428.933443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=CN=C(N=C32)NN4CCCCC4CC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=CN=C(N=C32)NN4CCCCC4CC5=C(C=C(C=C5)F)Cl

InChI

InChI=1S/C22H26ClFN6/c23-19-12-16(24)9-8-15(19)11-18-7-3-4-10-30(18)28-22-25-13-20-21(27-22)29(14-26-20)17-5-1-2-6-17/h8-9,12-14,17-18H,1-7,10-11H2,(H,25,27,28)