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

Systemtic Name: ethyl 4-[[4-(4-chlorophenyl)carbonylpiperazin-1-yl]methyl]-3-methyl-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]-3-methyl-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]methyl]-3-methyl-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]-3-methyl-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(4-chlorobenzoyl)piperazino]methyl]-2-keto-3-methyl-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H27ClN4O4S MolecularWeight: 503.01358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)C)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CSC=C2)C)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN4O4S/c1-3-33-23(31)20-19(27(2)24(32)26-21(20)17-8-13-34-15-17)14-28-9-11-29(12-10-28)22(30)16-4-6-18(25)7-5-16/h4-8,13,15,21H,3,9-12,14H2,1-2H3,(H,26,32)