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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C#N)C

InChI

InChI=1S/C19H22N6O3S/c1-3-28-18(27)16-13(2)14(11-20)17(29-16)23-15(26)12-24-7-9-25(10-8-24)19-21-5-4-6-22-19/h4-6H,3,7-10,12H2,1-2H3,(H,23,26)