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

Systemtic Name: 2-azanyl-1-ethenyl-6-[9-ethyl-8-(3-fluorophenyl)purin-2-yl]cyclohexan-1-ol Openeye Name: 2-amino-6-[9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-vinyl-cyclohexanol CAS Name: 2-amino-1-ethenyl-6-[9-ethyl-8-(3-fluorophenyl)-2-purinyl]-1-cyclohexanol IUPAC Name: 2-amino-1-ethenyl-6-[9-ethyl-8-(3-fluorophenyl)purin-2-yl]cyclohexan-1-ol Traditional Name: 2-amino-6-[9-ethyl-8-(3-fluorophenyl)purin-2-yl]-1-vinyl-cyclohexanol Formula: C21H24FN5O MolecularWeight: 381.446563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN5O/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