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

Systemtic Name: ethyl 6-(3,4-dichlorophenyl)-3-ethyl-4-[(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3,4-dichlorophenyl)-3-ethyl-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3,4-dichlorophenyl)-3-ethyl-4-[[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,4-dichlorophenyl)-3-ethyl-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3,4-dichlorophenyl)-3-ethyl-2-keto-4-[[3-methyl-4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H30Cl2N4O4S MolecularWeight: 565.5118

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H30Cl2N4O4S/c1-4-31-20(15-30-10-11-32(16(3)14-30)24(33)21-7-6-12-37-21)22(25(34)36-5-2)23(29-26(31)35)17-8-9-18(27)19(28)13-17/h6-9,12-13,16,23H,4-5,10-11,14-15H2,1-3H3,(H,29,35)