4-[(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6-chloro-2-methylsulfanyl-pyrimidin-4-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[6-chloro-2-(methylthio)-4-pyrimidinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[[6-chloro-2-(methylthio)pyrimidin-4-yl]amino]-4-keto-butyric acid Formula: C9H10ClN3O3S MolecularWeight: 275.712

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)Cl)NC(=O)CCC(=O)O

Isomeric SMILES

CSC1=NC(=CC(=N1)Cl)NC(=O)CCC(=O)O

InChI

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