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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3CCO)C4=CC(=CC=C4)F)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3CCO)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C21H22FN5O2/c22-15-6-4-5-14(13-15)19-26-17-18(23)24-16(25-20(17)27(19)11-12-28)7-10-21(29)8-2-1-3-9-21/h4-6,13,28-29H,1-3,8-9,11-12H2,(H2,23,24,25)