ethyl 3-methyl-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-methyl-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 6-(4-isopropylphenyl)-3-methyl-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-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-methyl-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: 2-keto-3-methyl-4-[[3-methyl-4-(2-thenoyl)piperazino]methyl]-6-p-cumenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H36N4O4S MolecularWeight: 524.67484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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