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

Systemtic Name: 1-[2-[6-azanyl-9-butyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-9-butyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-9-butyl-8-(3-fluorophenyl)-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-9-butyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-9-butyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexanol Formula: C23H26FN5O MolecularWeight: 407.483843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CCCCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C23H26FN5O/c1-2-3-14-29-21(16-8-7-9-17(24)15-16)28-19-20(25)26-18(27-22(19)29)10-13-23(30)11-5-4-6-12-23/h7-9,15,30H,2-6,11-12,14H2,1H3,(H2,25,26,27)