2-azanyl-1-ethenyl-6-[9-ethyl-8-(3-fluorophenyl)purin-2-yl]cyclohexan-1-ol hydrochloride

Systemtic Name: 2-azanyl-1-ethenyl-6-[9-ethyl-8-(3-fluorophenyl)purin-2-yl]cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-6-[9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-vinyl-cyclohexanol hydrochloride CAS Name: 2-amino-1-ethenyl-6-[9-ethyl-8-(3-fluorophenyl)-2-purinyl]-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-1-ethenyl-6-[9-ethyl-8-(3-fluorophenyl)purin-2-yl]cyclohexan-1-ol hydrochloride Traditional Name: 2-amino-6-[9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-vinyl-cyclohexanol hydrochloride Formula: C21H25ClFN5O MolecularWeight: 417.907503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C=C)O)N)C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CCN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C=C)O)N)C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C21H24FN5O.ClH/c1-3-21(28)15(9-6-10-17(21)23)18-24-12-16-20(26-18)27(4-2)19(25-16)13-7-5-8-14(22)11-13;/h3,5,7-8,11-12,15,17,28H,1,4,6,9-10,23H2,2H3;1H