2-[6-(2-aminocarbonyl-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-4-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[6-(2-aminocarbonyl-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-4-azanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[6-(2-carbamoyl-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-4-oxo-butanoic acid CAS Name: 4-amino-2-[[6-(2-carbamoyl-5-cyanophenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[6-(2-carbamoyl-5-cyanophenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-4-oxobutanoic acid Traditional Name: 4-amino-2-[6-(2-carbamoyl-5-cyano-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-4-keto-butyric acid Formula: C17H14N6O8S MolecularWeight: 462.39346

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OC(CC(=O)N)C(=O)O)[N+](=O)[O-])OC2=C(C=CC(=C2)C#N)C(=O)N

Isomeric SMILES

CSC1=NC(=C(C(=N1)OC(CC(=O)N)C(=O)O)[N+](=O)[O-])OC2=C(C=CC(=C2)C#N)C(=O)N

InChI

InChI=1S/C17H14N6O8S/c1-32-17-21-14(30-9-4-7(6-18)2-3-8(9)13(20)25)12(23(28)29)15(22-17)31-10(16(26)27)5-11(19)24/h2-4,10H,5H2,1H3,(H2,19,24)(H2,20,25)(H,26,27)