ethyl 2-methyl-4-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]carbonyl-6-propyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]carbonyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-(4-methylbenzoyl)piperazine-1-carbonyl]-6-propyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-(4-methylbenzoyl)piperazine-1-carbonyl]-6-propylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-(3-methyl-4-p-toluoyl-piperazine-1-carbonyl)-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4/c1-6-8-20-21(25(32)33-7-2)22(27-18(5)26-20)24(31)28-13-14-29(17(4)15-28)23(30)19-11-9-16(3)10-12-19/h9-12,17H,6-8,13-15H2,1-5H3