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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C(C)(C)C

InChI

InChI=1S/C25H32N4O4/c1-7-33-23(31)19-17(3)26-21(18-11-9-8-10-12-18)27-20(19)22(30)28-13-14-29(16(2)15-28)24(32)25(4,5)6/h8-12,16H,7,13-15H2,1-6H3