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

Systemtic Name: 5-[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(diethylamino)-6-(methoxymethyl)-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(diethylamino)-6-(methoxymethyl)pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-4-19(5-2)14-8-11(9-22-3)17-16(18-14)24-10-12-6-7-13(23-12)15(20)21/h6-8H,4-5,9-10H2,1-3H3,(H,20,21)