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

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-6-(4-propan-2-ylphenyl)-4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(4-isopropylphenyl)-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-2-oxo-4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-oxo-6-(4-propan-2-ylphenyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-p-cumenyl-4-[[4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H36N4O4S MolecularWeight: 524.67484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)C(C)C)C(=O)OCC)CN3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H36N4O4S/c1-5-32-22(18-30-13-15-31(16-14-30)26(33)23-8-7-17-37-23)24(27(34)36-6-2)25(29-28(32)35)21-11-9-20(10-12-21)19(3)4/h7-12,17,19,25H,5-6,13-16,18H2,1-4H3,(H,29,35)