1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-(trifluoromethyl)-7H-purin-2-one

Systemtic Name: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-(trifluoromethyl)-7H-purin-2-one Openeye Name: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(trifluoromethyl)-7H-purin-2-one CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(trifluoromethyl)-7H-purin-2-one IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(trifluoromethyl)-7H-purin-2-one Traditional Name: 1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-8-(trifluoromethyl)-7H-purin-2-one Formula: C11H11F3N4O4 MolecularWeight: 320.22465

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C3C(=NC2=O)N=C(N3)C(F)(F)F)CO)O

Isomeric SMILES

C1C(C(OC1N2C=C3C(=NC2=O)N=C(N3)C(F)(F)F)CO)O

InChI

InChI=1S/C11H11F3N4O4/c12-11(13,14)9-15-4-2-18(10(21)17-8(4)16-9)7-1-5(20)6(3-19)22-7/h2,5-7,19-20H,1,3H2,(H,15,16,17,21)