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

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-(3-methylphenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(m-tolyl)purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(3-methylphenyl)-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(3-methylphenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-(m-tolyl)purin-2-yl]ethynyl]cyclohexanol Formula: C26H24FN5O MolecularWeight: 441.500063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C(=NC(=N3)C#CC4(CCCCC4)O)N)N=C2C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C(=NC(=N3)C#CC4(CCCCC4)O)N)N=C2C5=CC(=CC=C5)F

InChI

InChI=1S/C26H24FN5O/c1-17-7-5-10-20(15-17)32-24(18-8-6-9-19(27)16-18)31-22-23(28)29-21(30-25(22)32)11-14-26(33)12-3-2-4-13-26/h5-10,15-16,33H,2-4,12-13H2,1H3,(H2,28,29,30)