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

Systemtic Name: ethyl 4-(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(cyclobutanecarbonyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(cyclobutanecarbonyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(cyclobutanecarbonyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C4CCC4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C4CCC4

InChI

InChI=1S/C25H30N4O4/c1-4-33-25(32)20-17(3)26-22(18-9-6-5-7-10-18)27-21(20)24(31)28-13-14-29(16(2)15-28)23(30)19-11-8-12-19/h5-7,9-10,16,19H,4,8,11-15H2,1-3H3