2-[2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidin-5-yl)carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(2,4-dimethyl-6-methylsulfanyl-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[[2,4-dimethyl-6-(methylthio)-5-pyrimidinyl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[2,4-dimethyl-6-(methylthio)pyrimidine-5-carbonyl]amino]acetyl]amino]acetic 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)NCC(=O)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-6-10(12(21-3)16-7(2)15-6)11(20)14-4-8(17)13-5-9(18)19/h4-5H2,1-3H3,(H,13,17)(H,14,20)(H,18,19)