(phenylmethyl) 4-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: benzyl 4-[4-(2,2-dimethylpropanoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(2,2-dimethylpropanoyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-(3-methyl-4-pivaloyl-piperazine-1-carbonyl)pyrimidine-5-carboxylic acid benzyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)C)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C)C)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4/c1-16-14-28(12-13-29(16)24(32)25(4,5)6)22(30)21-20(17(2)26-18(3)27-21)23(31)33-15-19-10-8-7-9-11-19/h7-11,16H,12-15H2,1-6H3