3-(4-azanylcyclohexyl)-N-propyl-9-(thiolan-3-yl)-2H-purin-6-amine dihydrochloride

Systemtic Name: 3-(4-azanylcyclohexyl)-N-propyl-9-(thiolan-3-yl)-2H-purin-6-amine dihydrochloride Openeye Name: 3-(4-aminocyclohexyl)-N-propyl-9-tetrahydrothiophen-3-yl-2H-purin-6-amine dihydrochloride CAS Name: 3-(4-aminocyclohexyl)-N-propyl-9-(3-thiolanyl)-2H-purin-6-amine dihydrochloride IUPAC Name: 3-(4-aminocyclohexyl)-N-propyl-9-(thiolan-3-yl)-2H-purin-6-amine dihydrochloride Traditional Name: [3-(4-aminocyclohexyl)-9-tetrahydrothiophen-3-yl-2H-purin-6-yl]-propyl-amine dihydrochloride Formula: C18H32Cl2N6S MolecularWeight: 435.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NCN(C2=C1N=CN2C3CCSC3)C4CCC(CC4)N.Cl.Cl

Isomeric SMILES

CCCNC1=NCN(C2=C1N=CN2C3CCSC3)C4CCC(CC4)N.Cl.Cl

InChI

InChI=1S/C18H30N6S.2ClH/c1-2-8-20-17-16-18(24(11-21-16)15-7-9-25-10-15)23(12-22-17)14-5-3-13(19)4-6-14;;/h11,13-15H,2-10,12,19H2,1H3,(H,20,22);2*1H