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

Systemtic Name: 3,3-dimethyl-2-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-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]-3,3-dimethyl-butyric acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-6-7(10(21-5)16-12(20)14-6)9(17)15-8(11(18)19)13(2,3)4/h8H,1-5H3,(H,15,17)(H,18,19)(H,14,16,20)