2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-oxo-3-(2-oxolanylmethyl)-2-thieno[3,2-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-oxo-3-(oxolan-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)thieno[3,2-d]pyrimidin-2-yl]thio]acetic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)O

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)O

InChI

InChI=1S/C13H14N2O4S2/c16-10(17)7-21-13-14-9-3-5-20-11(9)12(18)15(13)6-8-2-1-4-19-8/h3,5,8H,1-2,4,6-7H2,(H,16,17)