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

Systemtic Name: ethyl 2-methyl-4-[3-methyl-4-(4-methyl-3-nitro-phenyl)carbonyl-piperazin-1-yl]carbonyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazine-1-carbonyl]-6-propyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[3-methyl-4-(4-methyl-3-nitrobenzoyl)piperazine-1-carbonyl]-6-propylpyrimidine-5-carboxylate Traditional Name: 2-methyl-4-[3-methyl-4-(4-methyl-3-nitro-benzoyl)piperazine-1-carbonyl]-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H31N5O6 MolecularWeight: 497.54354

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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)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H31N5O6/c1-6-8-19-21(25(33)36-7-2)22(27-17(5)26-19)24(32)28-11-12-29(16(4)14-28)23(31)18-10-9-15(3)20(13-18)30(34)35/h9-10,13,16H,6-8,11-12,14H2,1-5H3