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

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-2-methyl-cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-2-methyl-cyclohexanol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-2-methyl-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]-2-methylcyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-2-methyl-cyclohexanol Formula: C21H22FN5O MolecularWeight: 379.430683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O

Isomeric SMILES

CC1CCCCC1(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C21H22FN5O/c1-13-6-3-4-10-21(13,28)11-9-16-24-18(23)17-20(25-16)27(2)19(26-17)14-7-5-8-15(22)12-14/h5,7-8,12-13,28H,3-4,6,10H2,1-2H3,(H2,23,24,25)