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

Systemtic Name: methyl 3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H19N5O3S/c1-24-15(23)14-12(3-10-25-14)19-13(22)11-20-6-8-21(9-7-20)16-17-4-2-5-18-16/h2-5,10H,6-9,11H2,1H3,(H,19,22)