3-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-keto-5,6-dimethyl-3H-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=C(SC2=C1C(=O)NC(=N2)SCCC(=O)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCCC(=O)O)C

InChI

InChI=1S/C11H12N2O3S2/c1-5-6(2)18-10-8(5)9(16)12-11(13-10)17-4-3-7(14)15/h3-4H2,1-2H3,(H,14,15)(H,12,13,16)