diethyl 2-methyl-5-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3,4-dicarboxylate

Systemtic Name: diethyl 2-methyl-5-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3,4-dicarboxylate Openeye Name: diethyl 2-methyl-5-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3,4-dicarboxylate CAS Name: 2-methyl-5-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]furan-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-5-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3,4-dicarboxylate Traditional Name: 2-methyl-5-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]furan-3,4-dicarboxylic acid diethyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)OCC)SC2=NC=NC(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)OCC)SC2=NC=NC(=C2)C

InChI

InChI=1S/C20H25N3O6S/c1-6-13(30-14-9-11(4)21-10-22-14)17(24)23-18-16(20(26)28-8-3)15(12(5)29-18)19(25)27-7-2/h9-10,13H,6-8H2,1-5H3,(H,23,24)