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

Systemtic Name: 2-[2-(4,6-dimethyl-2-oxidanylidene-1H-pyrimidin-5-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(2-keto-4,6-dimethyl-1H-pyrimidin-5-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-7-9(8(2)15-13(20)14-7)6-11(17)16-10(12(18)19)4-5-21-3/h10H,4-6H2,1-3H3,(H,16,17)(H,18,19)(H,14,15,20)