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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C=CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)/C=C/C3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C22H26FN5O/c1-2-13-28-20(15-7-6-8-16(23)14-15)27-18-19(24)25-17(26-21(18)28)9-12-22(29)10-4-3-5-11-22/h6-9,12,14,29H,2-5,10-11,13H2,1H3,(H2,24,25,26)/b12-9+