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

Systemtic Name: methyl 4-phenyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H23N5O3S/c1-30-21(29)19-17(16-6-3-2-4-7-16)15-31-20(19)25-18(28)14-26-10-12-27(13-11-26)22-23-8-5-9-24-22/h2-9,15H,10-14H2,1H3,(H,25,28)