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

Systemtic Name: methyl 4-(2,5-dimethylphenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H27N5O3S/c1-16-5-6-17(2)18(13-16)19-15-33-22(21(19)23(31)32-3)27-20(30)14-28-9-11-29(12-10-28)24-25-7-4-8-26-24/h4-8,13,15H,9-12,14H2,1-3H3,(H,27,30)