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

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(2-fluorophenyl)-9-methyl-purin-2-yl]cyclohexan-1-ol Openeye Name: 2-amino-1-ethynyl-6-[8-(2-fluorophenyl)-9-methyl-purin-2-yl]cyclohexanol CAS Name: 2-amino-1-ethynyl-6-[8-(2-fluorophenyl)-9-methyl-2-purinyl]-1-cyclohexanol IUPAC Name: 2-amino-1-ethynyl-6-[8-(2-fluorophenyl)-9-methylpurin-2-yl]cyclohexan-1-ol Traditional Name: 2-amino-1-ethynyl-6-[8-(2-fluorophenyl)-9-methyl-purin-2-yl]cyclohexanol Formula: C20H20FN5O MolecularWeight: 365.404103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC=CC=C4F

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC=CC=C4F

InChI

InChI=1S/C20H20FN5O/c1-3-20(27)13(8-6-10-16(20)22)17-23-11-15-19(25-17)26(2)18(24-15)12-7-4-5-9-14(12)21/h1,4-5,7,9,11,13,16,27H,6,8,10,22H2,2H3