N4-[9-cyclopentyl-6-(2-fluoranyl-2-phenyl-hydrazinyl)purin-8-yl]cyclohexane-1,4-diamine dihydrochloride

Systemtic Name: N4-[9-cyclopentyl-6-(2-fluoranyl-2-phenyl-hydrazinyl)purin-8-yl]cyclohexane-1,4-diamine dihydrochloride Openeye Name: N4-[9-cyclopentyl-6-(2-fluoro-2-phenyl-hydrazino)purin-8-yl]cyclohexane-1,4-diamine dihydrochloride CAS Name: N4-[9-cyclopentyl-6-(2-fluoro-2-phenylhydrazinyl)-8-purinyl]cyclohexane-1,4-diamine dihydrochloride IUPAC Name: 4-N-[9-cyclopentyl-6-(2-fluoro-2-phenylhydrazinyl)purin-8-yl]cyclohexane-1,4-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(N'-fluoro-N'-phenyl-hydrazino)purin-8-yl]amine dihydrochloride Formula: C22H31Cl2FN8 MolecularWeight: 497.439543

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)NN(C4=CC=CC=C4)F)N=C2NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NN(C4=CC=CC=C4)F)N=C2NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C22H29FN8.2ClH/c23-31(18-8-2-1-3-9-18)29-20-19-21(26-14-25-20)30(17-6-4-5-7-17)22(28-19)27-16-12-10-15(24)11-13-16;;/h1-3,8-9,14-17H,4-7,10-13,24H2,(H,27,28)(H,25,26,29);2*1H