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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1CCCCC1(C2=NC3=C(C(=N2)N)N=C(N3CCO)C4=CC(=CC=C4)F)O

Isomeric SMILES

C#CC1CCCCC1(C2=NC3=C(C(=N2)N)N=C(N3CCO)C4=CC(=CC=C4)F)O

InChI

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