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

Systemtic Name: 6-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]hexanoic acid Openeye Name: 6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid CAS Name: 6-[[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid Traditional Name: 6-[[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]amino]hexanoic 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)NCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-8-10(12(21-2)16-13(20)15-8)11(19)14-7-5-3-4-6-9(17)18/h3-7H2,1-2H3,(H,14,19)(H,17,18)(H,15,16,20)