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

Systemtic Name: ethyl 4-(4-butanoyl-3-methyl-piperazin-1-yl)carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-butanoyl-3-methyl-piperazine-1-carbonyl)-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butanoyl-3-methylpiperazine-1-carbonyl)-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-(4-butyryl-3-methyl-piperazine-1-carbonyl)-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4/c1-5-11-20-22(26(33)34-7-3)23(28-24(27-20)19-13-9-8-10-14-19)25(32)29-15-16-30(18(4)17-29)21(31)12-6-2/h8-10,13-14,18H,5-7,11-12,15-17H2,1-4H3