ethyl 6-(4-tert-butylphenyl)-3-methyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-3-methyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-tert-butylphenyl)-3-methyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-3-methyl-4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-tert-butylphenyl)-3-methyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-tert-butylphenyl)-4-[(4-isobutyrylpiperazino)methyl]-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H40N4O4 MolecularWeight: 484.6309

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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)C)CN3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O4/c1-8-35-25(33)22-21(17-30-13-15-31(16-14-30)24(32)18(2)3)29(7)26(34)28-23(22)19-9-11-20(12-10-19)27(4,5)6/h9-12,18,23H,8,13-17H2,1-7H3,(H,28,34)