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

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-(4-methoxyphenyl)purin-2-yl]cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(4-methoxyphenyl)purin-2-yl]cyclohexanol hydrochloride CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(4-methoxyphenyl)-2-purinyl]-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(4-methoxyphenyl)purin-2-yl]cyclohexan-1-ol hydrochloride Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(4-methoxyphenyl)purin-2-yl]cyclohexanol hydrochloride Formula: C26H25ClFN5O2 MolecularWeight: 493.960403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NC3=CN=C(N=C32)C4CCCC(C4(C#C)O)N)C5=CC(=CC=C5)F.Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NC3=CN=C(N=C32)C4CCCC(C4(C#C)O)N)C5=CC(=CC=C5)F.Cl

InChI

InChI=1S/C26H24FN5O2.ClH/c1-3-26(33)20(8-5-9-22(26)28)23-29-15-21-25(31-23)32(18-10-12-19(34-2)13-11-18)24(30-21)16-6-4-7-17(27)14-16;/h1,4,6-7,10-15,20,22,33H,5,8-9,28H2,2H3;1H