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

Systemtic Name: dimethyl 3-methyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C19H23N5O5S MolecularWeight: 433.48142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C(=O)OC

InChI

InChI=1S/C19H23N5O5S/c1-12-14(17(26)28-2)16(30-15(12)18(27)29-3)22-13(25)11-23-7-9-24(10-8-23)19-20-5-4-6-21-19/h4-6H,7-11H2,1-3H3,(H,22,25)