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

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluoranyl-4-methyl-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluoro-4-methyl-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-8-(3-fluoro-4-methylphenyl)-9-methyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-amino-8-(3-fluoro-4-methylphenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-8-(3-fluoro-4-methyl-phenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol Formula: C21H22FN5O MolecularWeight: 379.430683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(N2C)N=C(N=C3N)C#CC4(CCCCC4)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(N2C)N=C(N=C3N)C#CC4(CCCCC4)O)F

InChI

InChI=1S/C21H22FN5O/c1-13-6-7-14(12-15(13)22)19-26-17-18(23)24-16(25-20(17)27(19)2)8-11-21(28)9-4-3-5-10-21/h6-7,12,28H,3-5,9-10H2,1-2H3,(H2,23,24,25)