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

Systemtic Name: ethyl 3-ethyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[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-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-[(4-isobutyrylpiperazino)methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N4O4S MolecularWeight: 448.57888

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O4S/c1-5-26-17(13-24-8-10-25(11-9-24)20(27)15(3)4)18(21(28)30-6-2)19(23-22(26)29)16-7-12-31-14-16/h7,12,14-15,19H,5-6,8-11,13H2,1-4H3,(H,23,29)