8-(3-fluorophenyl)-9-methyl-2-[2-(1-oxidanylcyclopentyl)ethynyl]-3H-purin-6-one

Systemtic Name: 8-(3-fluorophenyl)-9-methyl-2-[2-(1-oxidanylcyclopentyl)ethynyl]-3H-purin-6-one Openeye Name: 8-(3-fluorophenyl)-2-[2-(1-hydroxycyclopentyl)ethynyl]-9-methyl-3H-purin-6-one CAS Name: 8-(3-fluorophenyl)-2-[2-(1-hydroxycyclopentyl)ethynyl]-9-methyl-3H-purin-6-one IUPAC Name: 8-(3-fluorophenyl)-2-[2-(1-hydroxycyclopentyl)ethynyl]-9-methyl-3H-purin-6-one Traditional Name: 8-(3-fluorophenyl)-2-[2-(1-hydroxycyclopentyl)ethynyl]-9-methyl-3H-purin-6-one Formula: C19H17FN4O2 MolecularWeight: 352.362283

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=C(N2)C#CC3(CCCC3)O)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N=C(N2)C#CC3(CCCC3)O)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C19H17FN4O2/c1-24-16(12-5-4-6-13(20)11-12)23-15-17(24)21-14(22-18(15)25)7-10-19(26)8-2-3-9-19/h4-6,11,26H,2-3,8-9H2,1H3,(H,21,22,25)