N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-phenyl-purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-phenyl-purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-phenyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-phenylpurine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-(6-anilino-9-cyclopentyl-purin-2-yl)amine dihydrochloride Formula: C22H31Cl2N7 MolecularWeight: 464.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C22H29N7.2ClH/c23-15-10-12-17(13-11-15)26-22-27-20(25-16-6-2-1-3-7-16)19-21(28-22)29(14-24-19)18-8-4-5-9-18;;/h1-3,6-7,14-15,17-18H,4-5,8-13,23H2,(H2,25,26,27,28);2*1H