8-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[[(6-methyl-4-pyrimidinyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[(6-methylpyrimidin-4-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[[(6-methylpyrimidin-4-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCC2=CC(=CC3=C2OCOC3)C(=O)O

Isomeric SMILES

CC1=CC(=NC=N1)SCC2=CC(=CC3=C2OCOC3)C(=O)O

InChI

InChI=1S/C15H14N2O4S/c1-9-2-13(17-7-16-9)22-6-12-4-10(15(18)19)3-11-5-20-8-21-14(11)12/h2-4,7H,5-6,8H2,1H3,(H,18,19)