2-[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxypentanedioic acid

Systemtic Name: 2-[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxypentanedioic acid Openeye Name: 2-[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxypentanedioic acid CAS Name: 2-[[6-[4-cyano-3-(dimethylamino)phenoxy]-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]pentanedioic acid IUPAC Name: 2-[6-[4-cyano-3-(dimethylamino)phenoxy]-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxypentanedioic acid Traditional Name: 2-[6-[4-cyano-3-(dimethylamino)phenoxy]-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxyglutaric acid Formula: C19H19N5O8S MolecularWeight: 477.44786

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC(=C1)OC2=C(C(=NC(=N2)SC)OC(CCC(=O)O)C(=O)O)[N+](=O)[O-])C#N

Isomeric SMILES

CN(C)C1=C(C=CC(=C1)OC2=C(C(=NC(=N2)SC)OC(CCC(=O)O)C(=O)O)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H19N5O8S/c1-23(2)12-8-11(5-4-10(12)9-20)31-16-15(24(29)30)17(22-19(21-16)33-3)32-13(18(27)28)6-7-14(25)26/h4-5,8,13H,6-7H2,1-3H3,(H,25,26)(H,27,28)