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

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-3-methyl-4-[[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-benzoyl-3-methyl-piperazin-1-yl)methyl]-6-(4-tert-butylphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-benzoyl-3-methyl-1-piperazinyl)methyl]-6-(4-tert-butylphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-6-(4-tert-butylphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-benzoyl-3-methyl-piperazino)methyl]-6-(4-tert-butylphenyl)-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H40N4O4 MolecularWeight: 532.6737

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N4O4/c1-7-39-29(37)26-25(20-34-17-18-35(21(2)19-34)28(36)23-11-9-8-10-12-23)33(6)30(38)32-27(26)22-13-15-24(16-14-22)31(3,4)5/h8-16,21,27H,7,17-20H2,1-6H3,(H,32,38)