5-[6-azanyl-8-(3-fluorophenyl)-2-(3-methyl-3-oxidanyl-but-1-ynyl)purin-9-yl]-1H-pyridin-2-one hydrochloride

Systemtic Name: 5-[6-azanyl-8-(3-fluorophenyl)-2-(3-methyl-3-oxidanyl-but-1-ynyl)purin-9-yl]-1H-pyridin-2-one hydrochloride Openeye Name: 5-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxy-3-methyl-but-1-ynyl)purin-9-yl]-1H-pyridin-2-one hydrochloride CAS Name: 5-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxy-3-methylbut-1-ynyl)-9-purinyl]-1H-pyridin-2-one hydrochloride IUPAC Name: 5-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxy-3-methylbut-1-ynyl)purin-9-yl]-1H-pyridin-2-one hydrochloride Traditional Name: 5-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxy-3-methyl-but-1-ynyl)purin-9-yl]-2-pyridone hydrochloride Formula: C21H18ClFN6O2 MolecularWeight: 440.858023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=NC2=C(C(=N1)N)N=C(N2C3=CNC(=O)C=C3)C4=CC(=CC=C4)F)O.Cl

Isomeric SMILES

CC(C)(C#CC1=NC2=C(C(=N1)N)N=C(N2C3=CNC(=O)C=C3)C4=CC(=CC=C4)F)O.Cl

InChI

InChI=1S/C21H17FN6O2.ClH/c1-21(2,30)9-8-15-25-18(23)17-20(26-15)28(14-6-7-16(29)24-11-14)19(27-17)12-4-3-5-13(22)10-12;/h3-7,10-11,30H,1-2H3,(H,24,29)(H2,23,25,26);1H