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

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-methoxyethyl)purin-2-yl]cyclohexan-1-ol Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-methoxyethyl)purin-2-yl]cyclohexanol CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-methoxyethyl)-2-purinyl]-1-cyclohexanol IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-methoxyethyl)purin-2-yl]cyclohexan-1-ol Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(2-methoxyethyl)purin-2-yl]cyclohexanol Formula: C22H24FN5O2 MolecularWeight: 409.456663

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC=C4)F

Isomeric SMILES

COCCN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FN5O2/c1-3-22(29)16(8-5-9-18(22)24)19-25-13-17-21(27-19)28(10-11-30-2)20(26-17)14-6-4-7-15(23)12-14/h1,4,6-7,12-13,16,18,29H,5,8-11,24H2,2H3