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

Systemtic Name: ethyl 4-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(3,3-dimethyl-1-oxobutyl)-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,3-dimethylbutanoyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3,3-dimethylbutanoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)C(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H32N4O4/c1-8-29-20(28)17-14(3)22-15(4)23-18(17)19(27)24-9-10-25(13(2)12-24)16(26)11-21(5,6)7/h13H,8-12H2,1-7H3