2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)amino]-3-hydroxy-butanoic acid CAS Name: 2-[[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]amino]-3-hydroxy-butyric acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c1-5-8(11(20-4)14-7(3)13-5)10(17)15-9(6(2)16)12(18)19/h6,9,16H,1-4H3,(H,15,17)(H,18,19)