N2-(4-azanylcyclohexyl)-N6-phenyl-9-(thiolan-3-yl)purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-phenyl-9-(thiolan-3-yl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-phenyl-9-tetrahydrothiophen-3-yl-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-phenyl-9-(3-thiolanyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-phenyl-9-(thiolan-3-yl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-(6-anilino-9-tetrahydrothiophen-3-yl-purin-2-yl)amine dihydrochloride Formula: C21H29Cl2N7S MolecularWeight: 482.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=CC=C4)N=CN3C5CCSC5.Cl.Cl

Isomeric SMILES

C1CC(CCC1N)NC2=NC3=C(C(=N2)NC4=CC=CC=C4)N=CN3C5CCSC5.Cl.Cl

InChI

InChI=1S/C21H27N7S.2ClH/c22-14-6-8-16(9-7-14)25-21-26-19(24-15-4-2-1-3-5-15)18-20(27-21)28(13-23-18)17-10-11-29-12-17;;/h1-5,13-14,16-17H,6-12,22H2,(H2,24,25,26,27);2*1H