3-(5,6-dimethyl-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: 3-(5,6-dimethyl-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: 3-(5,6-dimethyl-2-methylsulfanyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-[5,6-dimethyl-2-(methylthio)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-(5,6-dimethyl-2-methylsulfanyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-[4-keto-5,6-dimethyl-2-(methylthio)thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C12H13N2O3S2- MolecularWeight: 297.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC)CCC(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC)CCC(=O)[O-])C

InChI

InChI=1S/C12H14N2O3S2/c1-6-7(2)19-10-9(6)11(17)14(5-4-8(15)16)12(13-10)18-3/h4-5H2,1-3H3,(H,15,16)/p-1