3-(3,5-dimethyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-yl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-(3,5-dimethyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-yl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(3,5-dimethyl-6-oxo-2-thioxo-pyrimidin-4-yl)-2-oxo-propanoic acid CAS Name: 3-(3,5-dimethyl-6-oxo-2-sulfanylidene-4-pyrimidinyl)-2-oxopropanoic acid IUPAC Name: 3-(3,5-dimethyl-6-oxo-2-sulfanylidenepyrimidin-4-yl)-2-oxopropanoic acid Traditional Name: 2-keto-3-(6-keto-3,5-dimethyl-2-thioxo-pyrimidin-4-yl)propionic acid Formula: C9H10N2O4S MolecularWeight: 242.2517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)NC1=O)C)CC(=O)C(=O)O

Isomeric SMILES

CC1=C(N(C(=S)NC1=O)C)CC(=O)C(=O)O

InChI

InChI=1S/C9H10N2O4S/c1-4-5(3-6(12)8(14)15)11(2)9(16)10-7(4)13/h3H2,1-2H3,(H,14,15)(H,10,13,16)