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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12ClN3O3S/c1-18-10-13-5-6(11)8(14-10)9(17)12-4-2-3-7(15)16/h5H,2-4H2,1H3,(H,12,17)(H,15,16)