ethyl 3-ethyl-4-[[4-(4-methylphenyl)carbonylpiperazin-1-yl]methyl]-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-4-[[4-(4-methylphenyl)carbonylpiperazin-1-yl]methyl]-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]methyl]-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[[4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-[(4-p-toluoylpiperazino)methyl]-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H32N4O4S/c1-4-30-21(22(25(32)34-5-2)23(27-26(30)33)20-10-15-35-17-20)16-28-11-13-29(14-12-28)24(31)19-8-6-18(3)7-9-19/h6-10,15,17,23H,4-5,11-14,16H2,1-3H3,(H,27,33)