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

Systemtic Name: 4-azanyl-2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]amino]-4-keto-butyric acid Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-5-9(11(21-3)15-6(2)14-5)10(18)16-7(12(19)20)4-8(13)17/h7H,4H2,1-3H3,(H2,13,17)(H,16,18)(H,19,20)