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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-nitrophenyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-nitrophenyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-nitrophenyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(4-nitrophenyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(4-nitroanilino)purin-2-yl]amine dihydrochloride Formula: C22H30Cl2N8O2 MolecularWeight: 509.432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)[N+](=O)[O-])NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)[N+](=O)[O-])NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C22H28N8O2.2ClH/c23-14-5-7-16(8-6-14)26-22-27-20(25-15-9-11-18(12-10-15)30(31)32)19-21(28-22)29(13-24-19)17-3-1-2-4-17;;/h9-14,16-17H,1-8,23H2,(H2,25,26,27,28);2*1H