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

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-2-methoxy-cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-2-methoxy-cyclohexanol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-2-methoxy-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]-2-methoxycyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-2-methoxy-cyclohexanol Formula: C21H22FN5O2 MolecularWeight: 395.430083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3OC)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3OC)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN5O2/c1-27-19(13-6-5-7-14(22)12-13)26-17-18(23)24-16(25-20(17)27)9-11-21(28)10-4-3-8-15(21)29-2/h5-7,12,15,28H,3-4,8,10H2,1-2H3,(H2,23,24,25)