N2-(4-azanyl-3-fluoranyl-cyclohexyl)-9-cyclopentyl-N6-(phenylmethyl)purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanyl-3-fluoranyl-cyclohexyl)-9-cyclopentyl-N6-(phenylmethyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-amino-3-fluoro-cyclohexyl)-N6-benzyl-9-cyclopentyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-amino-3-fluorocyclohexyl)-9-cyclopentyl-N6-(phenylmethyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-amino-3-fluorocyclohexyl)-6-N-benzyl-9-cyclopentylpurine-2,6-diamine dihydrochloride Traditional Name: (4-amino-3-fluoro-cyclohexyl)-[6-(benzylamino)-9-cyclopentyl-purin-2-yl]amine dihydrochloride Formula: C23H32Cl2FN7 MolecularWeight: 496.451483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)NC5CCC(C(C5)F)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)NC5CCC(C(C5)F)N.Cl.Cl

InChI

InChI=1S/C23H30FN7.2ClH/c24-18-12-16(10-11-19(18)25)28-23-29-21(26-13-15-6-2-1-3-7-15)20-22(30-23)31(14-27-20)17-8-4-5-9-17;;/h1-3,6-7,14,16-19H,4-5,8-13,25H2,(H2,26,28,29,30);2*1H