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

Systemtic Name: 2-azanyl-1-ethynyl-6-(9-methyl-8-thiophen-2-yl-purin-2-yl)cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-1-ethynyl-6-[9-methyl-8-(2-thienyl)purin-2-yl]cyclohexanol hydrochloride CAS Name: 2-amino-1-ethynyl-6-(9-methyl-8-thiophen-2-yl-2-purinyl)-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-1-ethynyl-6-(9-methyl-8-thiophen-2-ylpurin-2-yl)cyclohexan-1-ol hydrochloride Traditional Name: 2-amino-1-ethynyl-6-[9-methyl-8-(2-thienyl)purin-2-yl]cyclohexanol hydrochloride Formula: C18H20ClN5OS MolecularWeight: 389.9023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC=CS4.Cl

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC=CS4.Cl

InChI

InChI=1S/C18H19N5OS.ClH/c1-3-18(24)11(6-4-8-14(18)19)15-20-10-12-16(22-15)23(2)17(21-12)13-7-5-9-25-13;/h1,5,7,9-11,14,24H,4,6,8,19H2,2H3;1H