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

Systemtic Name: ethyl 6-(4-tert-butylphenyl)-3-methyl-4-[[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-tert-butylphenyl)-3-methyl-4-[[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-tert-butylphenyl)-3-methyl-4-[[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-tert-butylphenyl)-3-methyl-4-[[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-tert-butylphenyl)-2-keto-3-methyl-4-[(3-methyl-4-p-toluoyl-piperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C32H42N4O4 MolecularWeight: 546.70028

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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=C(C=C4)C

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=C(C=C4)C

InChI

InChI=1S/C32H42N4O4/c1-8-40-30(38)27-26(34(7)31(39)33-28(27)23-13-15-25(16-14-23)32(4,5)6)20-35-17-18-36(22(3)19-35)29(37)24-11-9-21(2)10-12-24/h9-16,22,28H,8,17-20H2,1-7H3,(H,33,39)