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

Systemtic Name: 1,3-dimethyl-6-[4-[3-(4-nitrophenyl)-2-oxidanyl-propyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 6-[4-[2-hydroxy-3-(4-nitrophenyl)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[2-hydroxy-3-(4-nitrophenyl)propyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[2-hydroxy-3-(4-nitrophenyl)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[2-hydroxy-3-(4-nitrophenyl)propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5/c1-20-17(12-18(26)21(2)19(20)27)23-9-7-22(8-10-23)13-16(25)11-14-3-5-15(6-4-14)24(28)29/h3-6,12,16,25H,7-11,13H2,1-2H3