1-[5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-fluoranyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one

Systemtic Name: 1-[5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-fluoranyl-4-(1,2,4-triazol-1-yl)pyrimidin-2-one Openeye Name: 1-[5-ethynyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-fluoro-4-(1,2,4-triazol-1-yl)pyrimidin-2-one CAS Name: 1-[5-ethynyl-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-fluoro-4-(1,2,4-triazol-1-yl)-2-pyrimidinone IUPAC Name: 1-[5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-4-(1,2,4-triazol-1-yl)pyrimidin-2-one Traditional Name: 1-(5-ethynyl-4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-5-fluoro-4-(1,2,4-triazol-1-yl)pyrimidin-2-one Formula: C13H12FN5O4 MolecularWeight: 321.263883

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(CC(O1)N2C=C(C(=NC2=O)N3C=NC=N3)F)O)CO

Isomeric SMILES

C#CC1(C(CC(O1)N2C=C(C(=NC2=O)N3C=NC=N3)F)O)CO

InChI

InChI=1S/C13H12FN5O4/c1-2-13(5-20)9(21)3-10(23-13)18-4-8(14)11(17-12(18)22)19-7-15-6-16-19/h1,4,6-7,9-10,20-21H,3,5H2