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

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

CCCCC(C(=O)O)NC(=O)C1=C(NC(=O)N=C1SC)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C1=C(NC(=O)N=C1SC)C

InChI

InChI=1S/C13H19N3O4S/c1-4-5-6-8(12(18)19)15-10(17)9-7(2)14-13(20)16-11(9)21-3/h8H,4-6H2,1-3H3,(H,15,17)(H,18,19)(H,14,16,20)