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

Systemtic Name: ethyl 3-ethyl-4-[[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[3-methyl-4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-[(4-isobutyryl-3-methyl-piperazino)methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H34N4O4S MolecularWeight: 462.60546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C(C)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C(C)C

InChI

InChI=1S/C23H34N4O4S/c1-6-26-18(13-25-9-10-27(16(5)12-25)21(28)15(3)4)19(22(29)31-7-2)20(24-23(26)30)17-8-11-32-14-17/h8,11,14-16,20H,6-7,9-10,12-13H2,1-5H3,(H,24,30)