6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-9-cyclopentyl-N-piperidin-1-yl-purin-2-amine

Systemtic Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-9-cyclopentyl-N-piperidin-1-yl-purin-2-amine Openeye Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-9-cyclopentyl-N-(1-piperidyl)purin-2-amine CAS Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-9-cyclopentyl-N-(1-piperidinyl)-2-purinamine IUPAC Name: 6-[[3,5-bis(trifluoromethyl)phenyl]methyl]-9-cyclopentyl-N-piperidin-1-ylpurin-2-amine Traditional Name: [6-[3,5-bis(trifluoromethyl)benzyl]-9-cyclopentyl-purin-2-yl]-piperidino-amine Formula: C24H26F6N6 MolecularWeight: 512.493859

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC2=NC(=C3C(=N2)N(C=N3)C4CCCC4)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)NC2=NC(=C3C(=N2)N(C=N3)C4CCCC4)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H26F6N6/c25-23(26,27)16-10-15(11-17(13-16)24(28,29)30)12-19-20-21(36(14-31-20)18-6-2-3-7-18)33-22(32-19)34-35-8-4-1-5-9-35/h10-11,13-14,18H,1-9,12H2,(H,32,33,34)