4-methylsulfanyl-2-[2-(2-oxidanylidenepyrimidin-1-yl)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(2-oxidanylidenepyrimidin-1-yl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(2-oxo-1-pyrimidinyl)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(2-ketopyrimidin-1-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C11H15N3O4S MolecularWeight: 285.3195

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1C=CC=NC1=O

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CN1C=CC=NC1=O

InChI

InChI=1S/C11H15N3O4S/c1-19-6-3-8(10(16)17)13-9(15)7-14-5-2-4-12-11(14)18/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)(H,16,17)