2-[2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]acetyl]amino]acetic acid Formula: C10H11ClN4O4S MolecularWeight: 318.73674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC(=O)NCC(=O)O)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC(=O)NCC(=O)O)Cl

InChI

InChI=1S/C10H11ClN4O4S/c1-20-10-14-2-5(11)8(15-10)9(19)13-3-6(16)12-4-7(17)18/h2H,3-4H2,1H3,(H,12,16)(H,13,19)(H,17,18)