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

Systemtic Name: 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]butanoic acid Openeye Name: 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]butanoic acid CAS Name: 2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]butanoic acid Traditional Name: 2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]butyric acid Formula: C10H12ClN3O3S MolecularWeight: 289.73858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)C1=NC(=NC=C1Cl)SC

Isomeric SMILES

CCC(C(=O)O)NC(=O)C1=NC(=NC=C1Cl)SC

InChI

InChI=1S/C10H12ClN3O3S/c1-3-6(9(16)17)13-8(15)7-5(11)4-12-10(14-7)18-2/h4,6H,3H2,1-2H3,(H,13,15)(H,16,17)