N2-(4-azanylcyclohexyl)-9-butan-2-yl-N6-propyl-purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-butan-2-yl-N6-propyl-purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-propyl-9-sec-butyl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-butan-2-yl-N6-propylpurine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-butan-2-yl-6-N-propylpurine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(propylamino)-9-sec-butyl-purin-2-yl]amine dihydrochloride Formula: C18H33Cl2N7 MolecularWeight: 418.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1N=CN2C(C)CC)NC3CCC(CC3)N.Cl.Cl

Isomeric SMILES

CCCNC1=NC(=NC2=C1N=CN2C(C)CC)NC3CCC(CC3)N.Cl.Cl

InChI

InChI=1S/C18H31N7.2ClH/c1-4-10-20-16-15-17(25(11-21-15)12(3)5-2)24-18(23-16)22-14-8-6-13(19)7-9-14;;/h11-14H,4-10,19H2,1-3H3,(H2,20,22,23,24);2*1H