N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-phenylpropyl)purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-phenylpropyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-phenylpropyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-phenylpropyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(3-phenylpropyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(3-phenylpropylamino)purin-2-yl]amine dihydrochloride Formula: C25H37Cl2N7 MolecularWeight: 506.51418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCCC4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCCC4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C25H35N7.2ClH/c26-19-12-14-20(15-13-19)29-25-30-23(27-16-6-9-18-7-2-1-3-8-18)22-24(31-25)32(17-28-22)21-10-4-5-11-21;;/h1-3,7-8,17,19-21H,4-6,9-16,26H2,(H2,27,29,30,31);2*1H