3-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]propanoic acid Openeye Name: 3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid CAS Name: 3-[[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid Traditional Name: 3-[[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]amino]propionic acid Formula: C10H13N3O4S MolecularWeight: 271.29292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SC)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SC)C(=O)NCCC(=O)O

InChI

InChI=1S/C10H13N3O4S/c1-5-7(8(16)11-4-3-6(14)15)9(18-2)13-10(17)12-5/h3-4H2,1-2H3,(H,11,16)(H,14,15)(H,12,13,17)