2-methylpropyl 2,4-dimethyl-6-[3-methyl-4-(4-methyl-3-nitro-phenyl)carbonyl-piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C25H31N5O6/c1-14(2)13-36-25(33)21-17(5)26-18(6)27-22(21)24(32)28-9-10-29(16(4)12-28)23(31)19-8-7-15(3)20(11-19)30(34)35/h7-8,11,14,16H,9-10,12-13H2,1-6H3