2-[[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[6-(3-ethoxycarbonyl-5-methyl-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[6-(3-ethoxycarbonyl-5-methylphenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[6-(3-ethoxycarbonyl-5-methylphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[6-(3-carbethoxy-5-methyl-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]-3-hydroxy-butyric acid Formula: C19H22N4O8S MolecularWeight: 466.46498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NC(C(C)O)C(=O)O)SC)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NC(C(C)O)C(=O)O)SC)C

InChI

InChI=1S/C19H22N4O8S/c1-5-30-18(27)11-6-9(2)7-12(8-11)31-16-14(23(28)29)15(21-19(22-16)32-4)20-13(10(3)24)17(25)26/h6-8,10,13,24H,5H2,1-4H3,(H,25,26)(H,20,21,22)