N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(thiophen-2-ylmethyl)purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(thiophen-2-ylmethyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(2-thienylmethyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(thiophen-2-ylmethyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(thiophen-2-ylmethyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(2-thenylamino)purin-2-yl]amine dihydrochloride Formula: C21H31Cl2N7S MolecularWeight: 484.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CS4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CS4)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C21H29N7S.2ClH/c22-14-7-9-15(10-8-14)25-21-26-19(23-12-17-6-3-11-29-17)18-20(27-21)28(13-24-18)16-4-1-2-5-16;;/h3,6,11,13-16H,1-2,4-5,7-10,12,22H2,(H2,23,25,26,27);2*1H