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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)N)(C#C)O)C2=NC=C3C(=N2)N(C(=N3)C4=CC(=CC=C4)F)C.Cl

Isomeric SMILES

CC1CC(C(C(C1)N)(C#C)O)C2=NC=C3C(=N2)N(C(=N3)C4=CC(=CC=C4)F)C.Cl

InChI

InChI=1S/C21H22FN5O.ClH/c1-4-21(28)15(8-12(2)9-17(21)23)18-24-11-16-20(26-18)27(3)19(25-16)13-6-5-7-14(22)10-13;/h1,5-7,10-12,15,17,28H,8-9,23H2,2-3H3;1H