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

Systemtic Name: 5-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(CC)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)O)N(CC)CC

InChI

InChI=1S/C16H21N3O3S/c1-4-11-9-14(19(5-2)6-3)18-16(17-11)23-10-12-7-8-13(22-12)15(20)21/h7-9H,4-6,10H2,1-3H3,(H,20,21)