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

Systemtic Name: ethyl 6-(2,5-dimethylphenyl)-3-methyl-2-oxidanylidene-4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,5-dimethylphenyl)-3-methyl-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,5-dimethylphenyl)-3-methyl-2-oxo-4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,5-dimethylphenyl)-3-methyl-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2,5-dimethylphenyl)-2-keto-3-methyl-4-[[4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)C)C)C)CN3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)C)C)C)CN3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H32N4O4S/c1-5-34-25(32)22-20(16-29-10-12-30(13-11-29)24(31)21-7-6-14-35-21)28(4)26(33)27-23(22)19-15-17(2)8-9-18(19)3/h6-9,14-15,23H,5,10-13,16H2,1-4H3,(H,27,33)