5-[6-[(4-carboxy-1,3-benzodioxol-5-yl)oxy]-2-methylsulfanyl-pyrimidin-4-yl]oxy-1,3-benzodioxole-4-carboxylic acid

Systemtic Name: 5-[6-[(4-carboxy-1,3-benzodioxol-5-yl)oxy]-2-methylsulfanyl-pyrimidin-4-yl]oxy-1,3-benzodioxole-4-carboxylic acid Openeye Name: 5-[6-[(4-carboxy-1,3-benzodioxol-5-yl)oxy]-2-methylsulfanyl-pyrimidin-4-yl]oxy-1,3-benzodioxole-4-carboxylic acid CAS Name: 5-[[6-[(4-carboxy-1,3-benzodioxol-5-yl)oxy]-2-(methylthio)-4-pyrimidinyl]oxy]-1,3-benzodioxole-4-carboxylic acid IUPAC Name: 5-[6-[(4-carboxy-1,3-benzodioxol-5-yl)oxy]-2-methylsulfanylpyrimidin-4-yl]oxy-1,3-benzodioxole-4-carboxylic acid Traditional Name: 5-[6-[(4-carboxy-1,3-benzodioxol-5-yl)oxy]-2-(methylthio)pyrimidin-4-yl]oxy-1,3-benzodioxole-4-carboxylic acid Formula: C21H14N2O10S MolecularWeight: 486.40826

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)OC2=C(C3=C(C=C2)OCO3)C(=O)O)OC4=C(C5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

CSC1=NC(=CC(=N1)OC2=C(C3=C(C=C2)OCO3)C(=O)O)OC4=C(C5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C21H14N2O10S/c1-34-21-22-13(32-9-2-4-11-17(30-7-28-11)15(9)19(24)25)6-14(23-21)33-10-3-5-12-18(31-8-29-12)16(10)20(26)27/h2-6H,7-8H2,1H3,(H,24,25)(H,26,27)