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

Systemtic Name: 2-azanyl-1-ethenyl-6-[8-(3-fluorophenyl)-9-propyl-purin-2-yl]cyclohexan-1-ol Openeye Name: 2-amino-6-[8-(3-fluorophenyl)-9-propyl-purin-2-yl]-1-vinyl-cyclohexanol CAS Name: 2-amino-1-ethenyl-6-[8-(3-fluorophenyl)-9-propyl-2-purinyl]-1-cyclohexanol IUPAC Name: 2-amino-1-ethenyl-6-[8-(3-fluorophenyl)-9-propylpurin-2-yl]cyclohexan-1-ol Traditional Name: 2-amino-6-[8-(3-fluorophenyl)-9-propyl-purin-2-yl]-1-vinyl-cyclohexanol Formula: C22H26FN5O MolecularWeight: 395.473143

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C=C)O)N)C4=CC(=CC=C4)F

Isomeric SMILES

CCCN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C=C)O)N)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H26FN5O/c1-3-11-28-20(14-7-5-8-15(23)12-14)26-17-13-25-19(27-21(17)28)16-9-6-10-18(24)22(16,29)4-2/h4-5,7-8,12-13,16,18,29H,2-3,6,9-11,24H2,1H3