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

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-(3-methoxyphenyl)purin-2-yl]cyclohexan-1-ol Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(3-methoxyphenyl)purin-2-yl]cyclohexanol CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(3-methoxyphenyl)-2-purinyl]-1-cyclohexanol IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(3-methoxyphenyl)purin-2-yl]cyclohexan-1-ol Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-(3-methoxyphenyl)purin-2-yl]cyclohexanol Formula: C26H24FN5O2 MolecularWeight: 457.499463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NC3=CN=C(N=C32)C4CCCC(C4(C#C)O)N)C5=CC(=CC=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NC3=CN=C(N=C32)C4CCCC(C4(C#C)O)N)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H24FN5O2/c1-3-26(33)20(11-6-12-22(26)28)23-29-15-21-25(31-23)32(18-9-5-10-19(14-18)34-2)24(30-21)16-7-4-8-17(27)13-16/h1,4-5,7-10,13-15,20,22,33H,6,11-12,28H2,2H3