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

Systemtic Name: ethyl 4-(4-dodecanoyl-3-methyl-piperazin-1-yl)carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-dodecanoyl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-(1-oxododecyl)-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-dodecanoyl-3-methylpiperazine-1-carbonyl)-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-(4-lauroyl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H44N4O4 MolecularWeight: 488.66266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC

InChI

InChI=1S/C27H44N4O4/c1-6-8-9-10-11-12-13-14-15-16-23(32)31-18-17-30(19-20(31)3)26(33)25-24(27(34)35-7-2)21(4)28-22(5)29-25/h20H,6-19H2,1-5H3