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

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-methylpropyl)purin-2-yl]cyclohexan-1-ol Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-isobutyl-purin-2-yl]cyclohexanol CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-methylpropyl)-2-purinyl]-1-cyclohexanol IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-methylpropyl)purin-2-yl]cyclohexan-1-ol Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-isobutyl-purin-2-yl]cyclohexanol Formula: C23H26FN5O MolecularWeight: 407.483843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN5O/c1-4-23(30)17(9-6-10-19(23)25)20-26-12-18-22(28-20)29(13-14(2)3)21(27-18)15-7-5-8-16(24)11-15/h1,5,7-8,11-12,14,17,19,30H,6,9-10,13,25H2,2-3H3