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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C3(CCCC(C3(C#C)O)N)OC)C4=CC(=CC=C4)F

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C3(CCCC(C3(C#C)O)N)OC)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN5O2/c1-4-20(28)16(23)9-6-10-21(20,29-3)19-24-12-15-18(26-19)27(2)17(25-15)13-7-5-8-14(22)11-13/h1,5,7-8,11-12,16,28H,6,9-10,23H2,2-3H3