3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoic acid

Systemtic Name: 3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoic acid Openeye Name: 3-(6-methyl-2-methylsulfanyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoic acid CAS Name: 3-[6-methyl-2-(methylthio)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid IUPAC Name: 3-(6-methyl-2-methylsulfanyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoic acid Traditional Name: 3-[4-keto-6-methyl-2-(methylthio)thieno[2,3-d]pyrimidin-3-yl]propionic acid Formula: C11H12N2O3S2 MolecularWeight: 284.35458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)CCC(=O)O)SC

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)CCC(=O)O)SC

InChI

InChI=1S/C11H12N2O3S2/c1-6-5-7-9(18-6)12-11(17-2)13(10(7)16)4-3-8(14)15/h5H,3-4H2,1-2H3,(H,14,15)