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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3S/c1-16-19(17-7-4-3-5-8-17)20(22(30)31-2)21(32-16)26-18(29)15-27-11-13-28(14-12-27)23-24-9-6-10-25-23/h3-10H,11-15H2,1-2H3,(H,26,29)