3-(3,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(3,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid Openeye Name: 3-(3,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 3-[(3,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]propanoic acid IUPAC Name: 3-(3,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(4-keto-3,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]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)C)SCCC(=O)O

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)C)SCCC(=O)O

InChI

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