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

Systemtic Name: ethyl 3-ethyl-6-(4-methylphenyl)-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-6-(4-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-(4-methylphenyl)-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-[(4-isobutyrylpiperazino)methyl]-2-keto-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O4/c1-6-29-20(16-27-12-14-28(15-13-27)23(30)17(3)4)21(24(31)33-7-2)22(26-25(29)32)19-10-8-18(5)9-11-19/h8-11,17,22H,6-7,12-16H2,1-5H3,(H,26,32)