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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(2-pentylphenyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(2-pentylphenyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(2-pentylphenyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(2-pentylphenyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(2-amylanilino)-9-cyclopentyl-purin-2-yl]amine dihydrochloride Formula: C27H41Cl2N7 MolecularWeight: 534.56734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

CCCCCC1=CC=CC=C1NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C27H39N7.2ClH/c1-2-3-4-9-19-10-5-8-13-23(19)31-25-24-26(34(18-29-24)22-11-6-7-12-22)33-27(32-25)30-21-16-14-20(28)15-17-21;;/h5,8,10,13,18,20-22H,2-4,6-7,9,11-12,14-17,28H2,1H3,(H2,30,31,32,33);2*1H