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

Systemtic Name: 5-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(diethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(diethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(diethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C15H19N3O3S/c1-4-18(5-2)13-8-10(3)16-15(17-13)22-9-11-6-7-12(21-11)14(19)20/h6-8H,4-5,9H2,1-3H3,(H,19,20)