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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-butan-2-yl-N6-phenyl-purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-phenyl-9-sec-butyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-butan-2-yl-N6-phenylpurine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-butan-2-yl-6-N-phenylpurine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-(6-anilino-9-sec-butyl-purin-2-yl)amine dihydrochloride Formula: C21H31Cl2N7 MolecularWeight: 452.42374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=NC2=C1N=C(N=C2NC3=CC=CC=C3)NC4CCC(CC4)N.Cl.Cl

Isomeric SMILES

CCC(C)N1C=NC2=C1N=C(N=C2NC3=CC=CC=C3)NC4CCC(CC4)N.Cl.Cl

InChI

InChI=1S/C21H29N7.2ClH/c1-3-14(2)28-13-23-18-19(24-16-7-5-4-6-8-16)26-21(27-20(18)28)25-17-11-9-15(22)10-12-17;;/h4-8,13-15,17H,3,9-12,22H2,1-2H3,(H2,24,25,26,27);2*1H