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

Systemtic Name: 2-azanyl-1-ethynyl-6-(9-methyl-8-phenyl-purin-2-yl)cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-1-ethynyl-6-(9-methyl-8-phenyl-purin-2-yl)cyclohexanol hydrochloride CAS Name: 2-amino-1-ethynyl-6-(9-methyl-8-phenyl-2-purinyl)-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-1-ethynyl-6-(9-methyl-8-phenylpurin-2-yl)cyclohexan-1-ol hydrochloride Traditional Name: 2-amino-1-ethynyl-6-(9-methyl-8-phenyl-purin-2-yl)cyclohexanol hydrochloride Formula: C20H22ClN5O MolecularWeight: 383.87458

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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=C4.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O.ClH/c1-3-20(26)14(10-7-11-16(20)21)17-22-12-15-19(24-17)25(2)18(23-15)13-8-5-4-6-9-13;/h1,4-6,8-9,12,14,16,26H,7,10-11,21H2,2H3;1H