3-(4,6-dimethyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid

Systemtic Name: 3-(4,6-dimethyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid Openeye Name: 3-(4,6-dimethyl-2-thioxo-1H-pyrimidin-5-yl)propanoic acid CAS Name: 3-(4,6-dimethyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid IUPAC Name: 3-(4,6-dimethyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid Traditional Name: 3-(4,6-dimethyl-2-thioxo-1H-pyrimidin-5-yl)propionic acid Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=S)N1)C)CCC(=O)O

InChI

InChI=1S/C9H12N2O2S/c1-5-7(3-4-8(12)13)6(2)11-9(14)10-5/h3-4H2,1-2H3,(H,12,13)(H,10,11,14)