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

Systemtic Name: 3-[2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]propanoate Openeye Name: 3-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]propanoate CAS Name: 3-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)thio]-1-oxoethyl]amino]propanoate IUPAC Name: 3-[[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]propanoate Traditional Name: 3-[[2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]propionate Formula: C13H14N3O4S2- MolecularWeight: 340.39796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCCC(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)SCC(=O)NCCC(=O)[O-])C

InChI

InChI=1S/C13H15N3O4S2/c1-6-7(2)22-12-10(6)11(20)15-13(16-12)21-5-8(17)14-4-3-9(18)19/h3-5H2,1-2H3,(H,14,17)(H,18,19)(H,15,16,20)/p-1