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

Systemtic Name: 2-cyclopropyl-2-[(6-methyl-4-methylsulfanyl-2-oxidanylidene-1H-pyrimidin-5-yl)carbonylamino]propanoic acid Openeye Name: 2-cyclopropyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid CAS Name: 2-cyclopropyl-2-[[[6-methyl-4-(methylthio)-2-oxo-1H-pyrimidin-5-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-cyclopropyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid Traditional Name: 2-cyclopropyl-2-[[2-keto-6-methyl-4-(methylthio)-1H-pyrimidine-5-carbonyl]amino]propionic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SC)C(=O)NC(C)(C2CC2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SC)C(=O)NC(C)(C2CC2)C(=O)O

InChI

InChI=1S/C13H17N3O4S/c1-6-8(10(21-3)15-12(20)14-6)9(17)16-13(2,11(18)19)7-4-5-7/h7H,4-5H2,1-3H3,(H,16,17)(H,18,19)(H,14,15,20)