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

Systemtic Name: ethyl 4-(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(cyclobutanecarbonyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(cyclobutanecarbonyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[4-(cyclobutanecarbonyl)-3-methyl-piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3CCC3)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3CCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O4/c1-4-10-21-22(27(34)35-5-2)23(29-24(28-21)19-11-7-6-8-12-19)26(33)30-15-16-31(18(3)17-30)25(32)20-13-9-14-20/h6-8,11-12,18,20H,4-5,9-10,13-17H2,1-3H3