N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-phenylpropyl)purine-6,8-diamine dihydrochloride

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-phenylpropyl)purine-6,8-diamine dihydrochloride Openeye Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-phenylpropyl)purine-6,8-diamine dihydrochloride CAS Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-phenylpropyl)purine-6,8-diamine dihydrochloride IUPAC Name: 8-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(3-phenylpropyl)purine-6,8-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(3-phenylpropylamino)purin-8-yl]amine dihydrochloride Formula: C25H37Cl2N7 MolecularWeight: 506.51418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)NCCCC4=CC=CC=C4)N=C2NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NCCCC4=CC=CC=C4)N=C2NC5CCC(CC5)N.Cl.Cl

InChI

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