2-[6-(3-aminocarbonyl-4-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-[6-(3-aminocarbonyl-4-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[6-(3-carbamoyl-4-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[6-(3-carbamoyl-4-cyanophenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[6-(3-carbamoyl-4-cyanophenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-5-oxopentanoic acid Traditional Name: 5-amino-2-[6-(3-carbamoyl-4-cyano-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-keto-valeric acid Formula: C18H16N6O8S MolecularWeight: 476.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O8S/c1-33-18-22-15(31-9-3-2-8(7-19)10(6-9)14(21)26)13(24(29)30)16(23-18)32-11(17(27)28)4-5-12(20)25/h2-3,6,11H,4-5H2,1H3,(H2,20,25)(H2,21,26)(H,27,28)