1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexane-1,4-diol

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexane-1,4-diol Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexane-1,4-diol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]cyclohexane-1,4-diol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclohexane-1,4-diol Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexane-1,4-diol Formula: C20H20FN5O2 MolecularWeight: 381.403503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN5O2/c1-26-18(12-3-2-4-13(21)11-12)25-16-17(22)23-15(24-19(16)26)7-10-20(28)8-5-14(27)6-9-20/h2-4,11,14,27-28H,5-6,8-9H2,1H3,(H2,22,23,24)