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

Systemtic Name: ethyl 3-ethyl-4-[(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)methyl]-2-oxidanylidene-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(4-isopropylphenyl)-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-[[3-methyl-4-(2-thenoyl)piperazino]methyl]-6-p-cumenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H38N4O4S MolecularWeight: 538.70142

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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(C(C3)C)C(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O4S/c1-6-32-23(18-31-14-15-33(20(5)17-31)27(34)24-9-8-16-38-24)25(28(35)37-7-2)26(30-29(32)36)22-12-10-21(11-13-22)19(3)4/h8-13,16,19-20,26H,6-7,14-15,17-18H2,1-5H3,(H,30,36)