3-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]propanoic acid Openeye Name: 3-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]propanoic acid CAS Name: 3-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]propanoic acid Traditional Name: 3-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]propionic acid Formula: C9H10ClN3O3S MolecularWeight: 275.712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10ClN3O3S/c1-17-9-12-4-5(10)7(13-9)8(16)11-3-2-6(14)15/h4H,2-3H2,1H3,(H,11,16)(H,14,15)