5-[[4-(dimethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(dimethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(dimethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(dimethylamino)-6-(methoxymethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(dimethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(dimethylamino)-6-(methoxymethyl)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)COC)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)COC)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C14H17N3O4S/c1-17(2)12-6-9(7-20-3)15-14(16-12)22-8-10-4-5-11(21-10)13(18)19/h4-6H,7-8H2,1-3H3,(H,18,19)