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

Systemtic Name: 5-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(C)C

InChI

InChI=1S/C13H15N3O3S/c1-8-6-11(16(2)3)15-13(14-8)20-7-9-4-5-10(19-9)12(17)18/h4-6H,7H2,1-3H3,(H,17,18)