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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(phenylmethyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-benzyl-9-cyclopentyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(phenylmethyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-benzyl-9-cyclopentylpurine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(benzylamino)-9-cyclopentyl-purin-2-yl]amine dihydrochloride Formula: C23H33Cl2N7 MolecularWeight: 478.46102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)NC5CCC(CC5)N.Cl.Cl

InChI

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