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

Systemtic Name: 3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid CAS Name: 3-methyl-2-[[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid Traditional Name: 2-[[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]amino]-3-methyl-butyric acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c1-5(2)8(11(17)18)14-9(16)7-6(3)13-12(19)15-10(7)20-4/h5,8H,1-4H3,(H,14,16)(H,17,18)(H,13,15,19)