1,3-dimethyl-6-[4-[[4-nitro-2-(phenylcarbonyl)phenyl]methyl]piperazin-1-yl]pyrimidine-2,4-dione; ethanedioic acid

Systemtic Name: 1,3-dimethyl-6-[4-[[4-nitro-2-(phenylcarbonyl)phenyl]methyl]piperazin-1-yl]pyrimidine-2,4-dione; ethanedioic acid Openeye Name: 6-[4-[(2-benzoyl-4-nitro-phenyl)methyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione; oxalic acid CAS Name: 6-[4-[(2-benzoyl-4-nitrophenyl)methyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid IUPAC Name: 6-[4-[(2-benzoyl-4-nitrophenyl)methyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione; oxalic acid Traditional Name: 6-[4-(2-benzoyl-4-nitro-benzyl)piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone; oxalic acid Formula: C26H27N5O9 MolecularWeight: 553.52068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H25N5O5.C2H2O4/c1-25-21(15-22(30)26(2)24(25)32)28-12-10-27(11-13-28)16-18-8-9-19(29(33)34)14-20(18)23(31)17-6-4-3-5-7-17;3-1(4)2(5)6/h3-9,14-15H,10-13,16H2,1-2H3;(H,3,4)(H,5,6)