1-[(4-nitrophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione

Systemtic Name: 1-[(4-nitrophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Openeye Name: 1-[(4-nitrophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione CAS Name: 1-[(4-nitrophenyl)methyl]-4-[[4-(2-pyrimidinylamino)phenyl]methyl]piperazine-2,3-dione IUPAC Name: 1-[(4-nitrophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione Traditional Name: 1-(4-nitrobenzyl)-4-[4-(2-pyrimidylamino)benzyl]piperazine-2,3-quinone Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O4/c29-20-21(30)27(15-17-4-8-19(9-5-17)28(31)32)13-12-26(20)14-16-2-6-18(7-3-16)25-22-23-10-1-11-24-22/h1-11H,12-15H2,(H,23,24,25)