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

Systemtic Name: 4-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]butanoic acid Openeye Name: 4-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid CAS Name: 4-[[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid Traditional Name: 4-[[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]amino]butyric acid Formula: C11H15N3O4S MolecularWeight: 285.3195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O4S/c1-6-8(10(19-2)14-11(18)13-6)9(17)12-5-3-4-7(15)16/h3-5H2,1-2H3,(H,12,17)(H,15,16)(H,13,14,18)