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

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(phenylmethyl)purine-6,8-diamine dihydrochloride Openeye Name: N8-(4-aminocyclohexyl)-N6-benzyl-9-cyclopentyl-purine-6,8-diamine dihydrochloride CAS Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-(phenylmethyl)purine-6,8-diamine dihydrochloride IUPAC Name: 8-N-(4-aminocyclohexyl)-6-N-benzyl-9-cyclopentylpurine-6,8-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(benzylamino)-9-cyclopentyl-purin-8-yl]amine dihydrochloride Formula: C23H33Cl2N7 MolecularWeight: 478.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)NCC4=CC=CC=C4)N=C2NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NCC4=CC=CC=C4)N=C2NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C23H31N7.2ClH/c24-17-10-12-18(13-11-17)28-23-29-20-21(25-14-16-6-2-1-3-7-16)26-15-27-22(20)30(23)19-8-4-5-9-19;;/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H,28,29)(H,25,26,27);2*1H