9-[5-ethynyl-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[5-ethynyl-3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[5-ethynyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[5-ethynyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[5-ethynyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-(5-ethynyl-3-fluoro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C12H11FN4O4 MolecularWeight: 294.238543

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C(C(O1)N2C=NC3=C2NC=NC3=O)F)O)CO

Isomeric SMILES

C#CC1(C(C(C(O1)N2C=NC3=C2NC=NC3=O)F)O)CO

InChI

InChI=1S/C12H11FN4O4/c1-2-12(3-18)8(19)6(13)11(21-12)17-5-16-7-9(17)14-4-15-10(7)20/h1,4-6,8,11,18-19H,3H2,(H,14,15,20)