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

Systemtic Name: ethyl 2-methyl-4-(3-methyl-4-pentanoyl-piperazin-1-yl)carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-(3-methyl-4-pentanoyl-piperazine-1-carbonyl)-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-oxomethyl]-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-(3-methyl-4-pentanoylpiperazine-1-carbonyl)-6-phenylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-(3-methyl-4-valeryl-piperazine-1-carbonyl)-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C(=O)C2=NC(=NC(=C2C(=O)OCC)C3=CC=CC=C3)C

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C(=O)C2=NC(=NC(=C2C(=O)OCC)C3=CC=CC=C3)C

InChI

InChI=1S/C25H32N4O4/c1-5-7-13-20(30)29-15-14-28(16-17(29)3)24(31)23-21(25(32)33-6-2)22(26-18(4)27-23)19-11-9-8-10-12-19/h8-12,17H,5-7,13-16H2,1-4H3