1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-methyl-cyclohexan-1-ol hydrochloride

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-methyl-cyclohexan-1-ol hydrochloride Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-methyl-cyclohexanol hydrochloride CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-4-methyl-1-cyclohexanol hydrochloride IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]-4-methylcyclohexan-1-ol hydrochloride Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-4-methyl-cyclohexanol hydrochloride Formula: C21H23ClFN5O MolecularWeight: 415.891623

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O.Cl

Isomeric SMILES

CC1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O.Cl

InChI

InChI=1S/C21H22FN5O.ClH/c1-13-6-9-21(28,10-7-13)11-8-16-24-18(23)17-20(25-16)27(2)19(26-17)14-4-3-5-15(22)12-14;/h3-5,12-13,28H,6-7,9-10H2,1-2H3,(H2,23,24,25);1H