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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C)C3=CC=CC=C3

InChI

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