N-[3,5-bis(trifluoromethyl)piperidin-1-yl]-9-cyclopentyl-N-(phenylmethyl)purin-8-amine

Systemtic Name: N-[3,5-bis(trifluoromethyl)piperidin-1-yl]-9-cyclopentyl-N-(phenylmethyl)purin-8-amine Openeye Name: N-benzyl-N-[3,5-bis(trifluoromethyl)-1-piperidyl]-9-cyclopentyl-purin-8-amine CAS Name: N-[3,5-bis(trifluoromethyl)-1-piperidinyl]-9-cyclopentyl-N-(phenylmethyl)-8-purinamine IUPAC Name: N-benzyl-N-[3,5-bis(trifluoromethyl)piperidin-1-yl]-9-cyclopentylpurin-8-amine Traditional Name: benzyl-[3,5-bis(trifluoromethyl)piperidino]-(9-cyclopentylpurin-8-yl)amine Formula: C24H26F6N6 MolecularWeight: 512.493859

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC=NC=C3N=C2N(CC4=CC=CC=C4)N5CC(CC(C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCC(C1)N2C3=NC=NC=C3N=C2N(CC4=CC=CC=C4)N5CC(CC(C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H26F6N6/c25-23(26,27)17-10-18(24(28,29)30)14-34(13-17)35(12-16-6-2-1-3-7-16)22-33-20-11-31-15-32-21(20)36(22)19-8-4-5-9-19/h1-3,6-7,11,15,17-19H,4-5,8-10,12-14H2