2-azanyl-1-ethynyl-6-(9-methyl-8-pyridin-2-yl-purin-2-yl)cyclohexan-1-ol dihydrochloride

Systemtic Name: 2-azanyl-1-ethynyl-6-(9-methyl-8-pyridin-2-yl-purin-2-yl)cyclohexan-1-ol dihydrochloride Openeye Name: 2-amino-1-ethynyl-6-[9-methyl-8-(2-pyridyl)purin-2-yl]cyclohexanol dihydrochloride CAS Name: 2-amino-1-ethynyl-6-[9-methyl-8-(2-pyridinyl)-2-purinyl]-1-cyclohexanol dihydrochloride IUPAC Name: 2-amino-1-ethynyl-6-(9-methyl-8-pyridin-2-ylpurin-2-yl)cyclohexan-1-ol dihydrochloride Traditional Name: 2-amino-1-ethynyl-6-[9-methyl-8-(2-pyridyl)purin-2-yl]cyclohexanol dihydrochloride Formula: C19H22Cl2N6O MolecularWeight: 421.32358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC=CC=N4.Cl.Cl

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC=CC=N4.Cl.Cl

InChI

InChI=1S/C19H20N6O.2ClH/c1-3-19(26)12(7-6-9-15(19)20)16-22-11-14-18(24-16)25(2)17(23-14)13-8-4-5-10-21-13;;/h1,4-5,8,10-12,15,26H,6-7,9,20H2,2H3;2*1H