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

Systemtic Name: ethyl 4-[[4-(2-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]methyl]-3-ethyl-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(2-chlorobenzoyl)-3-methyl-piperazin-1-yl]methyl]-3-ethyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(2-chlorophenyl)-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-(2-chlorobenzoyl)-3-methylpiperazin-1-yl]methyl]-3-ethyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(2-chlorobenzoyl)-3-methyl-piperazino]methyl]-3-ethyl-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H31ClN4O4S MolecularWeight: 531.06674

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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)C4=CC=CC=C4Cl

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H31ClN4O4S/c1-4-30-21(22(25(33)35-5-2)23(28-26(30)34)18-10-13-36-16-18)15-29-11-12-31(17(3)14-29)24(32)19-8-6-7-9-20(19)27/h6-10,13,16-17,23H,4-5,11-12,14-15H2,1-3H3,(H,28,34)