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

Systemtic Name: 2-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]-4-(methylthio)butyric acid Formula: C11H14ClN3O3S2 MolecularWeight: 335.83016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN3O3S2/c1-19-4-3-7(10(17)18)14-9(16)8-6(12)5-13-11(15-8)20-2/h5,7H,3-4H2,1-2H3,(H,14,16)(H,17,18)