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

Systemtic Name: 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-hydroxypropanoic acid Traditional Name: 2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-3-hydroxy-propionic acid Formula: C9H10ClN3O4S MolecularWeight: 291.7114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10ClN3O4S/c1-18-9-11-2-4(10)6(13-9)7(15)12-5(3-14)8(16)17/h2,5,14H,3H2,1H3,(H,12,15)(H,16,17)