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

Systemtic Name: ethyl 4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-3-ethyl-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazin-1-yl]methyl]-3-ethyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(tert-butylamino)-oxomethyl]-3-methyl-1-piperazinyl]methyl]-3-ethyl-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(tert-butylcarbamoyl)-3-methylpiperazin-1-yl]methyl]-3-ethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(tert-butylcarbamoyl)-3-methyl-piperazino]methyl]-3-ethyl-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H37N5O4S MolecularWeight: 491.64668

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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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H37N5O4S/c1-7-28-18(14-27-10-11-29(16(3)13-27)23(32)26-24(4,5)6)19(21(30)33-8-2)20(25-22(28)31)17-9-12-34-15-17/h9,12,15-16,20H,7-8,10-11,13-14H2,1-6H3,(H,25,31)(H,26,32)