1-[2-[6-azanyl-8-(3-fluoranyl-4-methoxy-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluoranyl-4-methoxy-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluoro-4-methoxy-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-8-(3-fluoro-4-methoxyphenyl)-9-methyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-(3-fluoro-4-methoxyphenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-(3-fluoro-4-methoxy-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol Formula: C21H22FN5O2 MolecularWeight: 395.430083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C21H22FN5O2/c1-27-19(13-6-7-15(29-2)14(22)12-13)26-17-18(23)24-16(25-20(17)27)8-11-21(28)9-4-3-5-10-21/h6-7,12,28H,3-5,9-10H2,1-2H3,(H2,23,24,25)