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

Systemtic Name: 1,3-dimethyl-6-[4-[3-(4-nitro-2-oxidanyl-phenoxy)propyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 6-[4-[3-(2-hydroxy-4-nitro-phenoxy)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[3-(2-hydroxy-4-nitrophenoxy)propyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[3-(2-hydroxy-4-nitrophenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[3-(2-hydroxy-4-nitro-phenoxy)propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C19H25N5O6 MolecularWeight: 419.4317

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCN(CC2)CCCOC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H25N5O6/c1-20-17(13-18(26)21(2)19(20)27)23-9-7-22(8-10-23)6-3-11-30-16-5-4-14(24(28)29)12-15(16)25/h4-5,12-13,25H,3,6-11H2,1-2H3