3-[2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]propanoic acid

Systemtic Name: 3-[2-[(5-cyano-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]propanoic acid Openeye Name: 3-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]propanoic acid CAS Name: 3-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[(5-cyano-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]propanoic acid Traditional Name: 3-[[2-[(5-cyano-4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]propionic acid Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SCC(=O)NCCC(=O)O)C#N

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)SCC(=O)NCCC(=O)O)C#N

InChI

InChI=1S/C13H16N4O4S/c1-2-3-9-8(6-14)12(21)17-13(16-9)22-7-10(18)15-5-4-11(19)20/h2-5,7H2,1H3,(H,15,18)(H,19,20)(H,16,17,21)