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

Systemtic Name: 2-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]amino]-4-(methylthio)butyric acid Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S2/c1-6-8(10(21-3)15-12(19)13-6)9(16)14-7(11(17)18)4-5-20-2/h7H,4-5H2,1-3H3,(H,14,16)(H,17,18)(H,13,15,19)