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

Systemtic Name: ethyl 3-methyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-6-(2-methylphenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]methyl]-6-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-6-(2-methylphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-isovalerylpiperazino)methyl]-2-keto-3-methyl-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)C)CN3CCN(CC3)C(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)C)CN3CCN(CC3)C(=O)CC(C)C

InChI

InChI=1S/C25H36N4O4/c1-6-33-24(31)22-20(16-28-11-13-29(14-12-28)21(30)15-17(2)3)27(5)25(32)26-23(22)19-10-8-7-9-18(19)4/h7-10,17,23H,6,11-16H2,1-5H3,(H,26,32)