N2-(4-azanylcyclohexyl)-N6-(phenylmethyl)-9-propyl-purine-2,6-diamine trihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-(phenylmethyl)-9-propyl-purine-2,6-diamine trihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-benzyl-9-propyl-purine-2,6-diamine trihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-(phenylmethyl)-9-propylpurine-2,6-diamine trihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-benzyl-9-propylpurine-2,6-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(benzylamino)-9-propyl-purin-2-yl]amine trihydrochloride Formula: C21H32Cl3N7 MolecularWeight: 488.88468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NC4CCC(CC4)N.Cl.Cl.Cl

Isomeric SMILES

CCCN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NC4CCC(CC4)N.Cl.Cl.Cl

InChI

InChI=1S/C21H29N7.3ClH/c1-2-12-28-14-24-18-19(23-13-15-6-4-3-5-7-15)26-21(27-20(18)28)25-17-10-8-16(22)9-11-17;;;/h3-7,14,16-17H,2,8-13,22H2,1H3,(H2,23,25,26,27);3*1H