ethyl 4-(4-butanoyl-3-methyl-piperazin-1-yl)carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-butanoyl-3-methyl-piperazin-1-yl)carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-butanoyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butanoyl-3-methylpiperazine-1-carbonyl)-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-butyryl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC

InChI

InChI=1S/C24H30N4O4/c1-5-10-19(29)28-14-13-27(15-16(28)3)23(30)21-20(24(31)32-6-2)17(4)25-22(26-21)18-11-8-7-9-12-18/h7-9,11-12,16H,5-6,10,13-15H2,1-4H3