N8-(4-azanylcyclohexyl)-N6-(phenylmethyl)-9-propan-2-yl-purine-6,8-diamine trihydrochloride

Systemtic Name: N8-(4-azanylcyclohexyl)-N6-(phenylmethyl)-9-propan-2-yl-purine-6,8-diamine trihydrochloride Openeye Name: N8-(4-aminocyclohexyl)-N6-benzyl-9-isopropyl-purine-6,8-diamine trihydrochloride CAS Name: N8-(4-aminocyclohexyl)-N6-(phenylmethyl)-9-propan-2-ylpurine-6,8-diamine trihydrochloride IUPAC Name: 8-N-(4-aminocyclohexyl)-6-N-benzyl-9-propan-2-ylpurine-6,8-diamine trihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(benzylamino)-9-isopropyl-purin-8-yl]amine trihydrochloride Formula: C21H32Cl3N7 MolecularWeight: 488.88468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=NC=N2)NCC3=CC=CC=C3)N=C1NC4CCC(CC4)N.Cl.Cl.Cl

Isomeric SMILES

CC(C)N1C2=C(C(=NC=N2)NCC3=CC=CC=C3)N=C1NC4CCC(CC4)N.Cl.Cl.Cl

InChI

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