ethyl 4-ethyl-5-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C20H27N5O3S/c1-4-15-14(3)29-18(17(15)19(27)28-5-2)23-16(26)13-24-9-11-25(12-10-24)20-21-7-6-8-22-20/h6-8H,4-5,9-13H2,1-3H3,(H,23,26)