1,3-dimethyl-6-[4-[3-[(4-nitrophenyl)amino]-2-oxidanyl-propyl]piperazin-1-yl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[4-[3-[(4-nitrophenyl)amino]-2-oxidanyl-propyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 6-[4-[2-hydroxy-3-(4-nitroanilino)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[2-hydroxy-3-(4-nitroanilino)propyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[2-hydroxy-3-(4-nitroanilino)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[2-hydroxy-3-(4-nitroanilino)propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C19H26N6O5 MolecularWeight: 418.44694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CC(CNC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CC(CNC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H26N6O5/c1-21-17(11-18(27)22(2)19(21)28)24-9-7-23(8-10-24)13-16(26)12-20-14-3-5-15(6-4-14)25(29)30/h3-6,11,16,20,26H,7-10,12-13H2,1-2H3