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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H22N4O3S/c1-3-14-13(2)11-15(26-14)17(24)25-12-16(23)21-7-9-22(10-8-21)18-19-5-4-6-20-18/h4-6,11H,3,7-10,12H2,1-2H3