diethyl 3-methyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H27N5O5S/c1-4-30-19(28)16-14(3)17(20(29)31-5-2)32-18(16)24-15(27)13-25-9-11-26(12-10-25)21-22-7-6-8-23-21/h6-8H,4-5,9-13H2,1-3H3,(H,24,27)