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

Systemtic Name: ethyl 3-methyl-2-oxidanylidene-6-(4-propan-2-ylphenyl)-4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-isopropylphenyl)-3-methyl-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-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-methyl-2-oxo-6-(4-propan-2-ylphenyl)-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-6-p-cumenyl-4-[[4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H34N4O4S MolecularWeight: 510.64826

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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(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O4S/c1-5-35-26(33)23-21(17-30-12-14-31(15-13-30)25(32)22-7-6-16-36-22)29(4)27(34)28-24(23)20-10-8-19(9-11-20)18(2)3/h6-11,16,18,24H,5,12-15,17H2,1-4H3,(H,28,34)