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

Systemtic Name: 1,3-dimethyl-6-[4-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]piperazin-1-yl]pyrimidine-2,4-dione Openeye Name: 6-[4-[2-hydroxy-2-(4-nitrophenyl)ethyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[2-hydroxy-2-(4-nitrophenyl)ethyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[2-hydroxy-2-(4-nitrophenyl)ethyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[2-hydroxy-2-(4-nitrophenyl)ethyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5/c1-19-16(11-17(25)20(2)18(19)26)22-9-7-21(8-10-22)12-15(24)13-3-5-14(6-4-13)23(27)28/h3-6,11,15,24H,7-10,12H2,1-2H3