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

Systemtic Name: 2-[3-(cyclobutylmethyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(cyclobutylmethyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(cyclobutylmethyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-(cyclobutylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(cyclobutylmethyl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]acetic acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CN2C(=O)C3=C(N=C2SCC(=O)O)SC=C3

Isomeric SMILES

C1CC(C1)CN2C(=O)C3=C(N=C2SCC(=O)O)SC=C3

InChI

InChI=1S/C13H14N2O3S2/c16-10(17)7-20-13-14-11-9(4-5-19-11)12(18)15(13)6-8-2-1-3-8/h4-5,8H,1-3,6-7H2,(H,16,17)