2-(6-azanyl-8-cyclohexyl-9-methyl-purin-2-yl)-1-ethynyl-cyclohexan-1-ol hydrochloride

Systemtic Name: 2-(6-azanyl-8-cyclohexyl-9-methyl-purin-2-yl)-1-ethynyl-cyclohexan-1-ol hydrochloride Openeye Name: 2-(6-amino-8-cyclohexyl-9-methyl-purin-2-yl)-1-ethynyl-cyclohexanol hydrochloride CAS Name: 2-(6-amino-8-cyclohexyl-9-methyl-2-purinyl)-1-ethynyl-1-cyclohexanol hydrochloride IUPAC Name: 2-(6-amino-8-cyclohexyl-9-methylpurin-2-yl)-1-ethynylcyclohexan-1-ol hydrochloride Traditional Name: 2-(6-amino-8-cyclohexyl-9-methyl-purin-2-yl)-1-ethynyl-cyclohexanol hydrochloride Formula: C20H28ClN5O MolecularWeight: 389.92222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1N=C(N=C2N)C3CCCCC3(C#C)O)C4CCCCC4.Cl

Isomeric SMILES

CN1C(=NC2=C1N=C(N=C2N)C3CCCCC3(C#C)O)C4CCCCC4.Cl

InChI

InChI=1S/C20H27N5O.ClH/c1-3-20(26)12-8-7-11-14(20)17-23-16(21)15-19(24-17)25(2)18(22-15)13-9-5-4-6-10-13;/h1,13-14,26H,4-12H2,2H3,(H2,21,23,24);1H