2-azanyl-6-[8-(3-chlorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexan-1-ol hydrochloride

Systemtic Name: 2-azanyl-6-[8-(3-chlorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-6-[8-(3-chlorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexanol hydrochloride CAS Name: 2-amino-6-[8-(3-chlorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-6-[8-(3-chlorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclohexan-1-ol hydrochloride Traditional Name: 2-amino-6-[8-(3-chlorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexanol hydrochloride Formula: C20H21Cl2N5O MolecularWeight: 418.31964

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O.ClH/c1-3-20(27)14(8-5-9-16(20)22)17-23-11-15-19(25-17)26(2)18(24-15)12-6-4-7-13(21)10-12;/h1,4,6-7,10-11,14,16,27H,5,8-9,22H2,2H3;1H