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

Systemtic Name: 2-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]amino]butyric acid Formula: C11H15N3O5S MolecularWeight: 301.3189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O5S/c1-4-6(9(20-3)14-11(19)12-4)8(16)13-7(5(2)15)10(17)18/h5,7,15H,1-3H3,(H,13,16)(H,17,18)(H,12,14,19)