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

Systemtic Name: ethyl 6-(4-chlorophenyl)-3-methyl-4-[(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-3-methyl-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-3-methyl-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-(4-chlorophenyl)-3-methyl-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chlorophenyl)-2-keto-3-methyl-4-[[3-methyl-4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H29ClN4O4S MolecularWeight: 517.04016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Cl)C)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Cl)C)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H29ClN4O4S/c1-4-34-24(32)21-19(28(3)25(33)27-22(21)17-7-9-18(26)10-8-17)15-29-11-12-30(16(2)14-29)23(31)20-6-5-13-35-20/h5-10,13,16,22H,4,11-12,14-15H2,1-3H3,(H,27,33)