N2-(4-azanylcyclohexyl)-9-propan-2-yl-N6-[(6-thiophen-2-ylpyridin-3-yl)methyl]purine-2,6-diamine hydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-propan-2-yl-N6-[(6-thiophen-2-ylpyridin-3-yl)methyl]purine-2,6-diamine hydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[[6-(2-thienyl)-3-pyridyl]methyl]purine-2,6-diamine hydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-propan-2-yl-N6-[(6-thiophen-2-yl-3-pyridinyl)methyl]purine-2,6-diamine hydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(6-thiophen-2-ylpyridin-3-yl)methyl]purine-2,6-diamine hydrochloride Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[[6-(2-thienyl)-3-pyridyl]methylamino]purin-2-yl]amine hydrochloride Formula: C24H31ClN8S MolecularWeight: 499.07454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=C(C=C3)C4=CC=CS4)NC5CCC(CC5)N.Cl

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=C(C=C3)C4=CC=CS4)NC5CCC(CC5)N.Cl

InChI

InChI=1S/C24H30N8S.ClH/c1-15(2)32-14-28-21-22(27-13-16-5-10-19(26-12-16)20-4-3-11-33-20)30-24(31-23(21)32)29-18-8-6-17(25)7-9-18;/h3-5,10-12,14-15,17-18H,6-9,13,25H2,1-2H3,(H2,27,29,30,31);1H