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

Systemtic Name: 6-[4-[3-(2-ethanoyl-4-nitro-phenyl)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-[3-(2-acetyl-4-nitro-phenyl)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[3-(2-acetyl-4-nitrophenyl)propyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[3-(2-acetyl-4-nitrophenyl)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[3-(2-acetyl-4-nitro-phenyl)propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O5/c1-15(27)18-13-17(26(30)31)7-6-16(18)5-4-8-24-9-11-25(12-10-24)19-14-20(28)23(3)21(29)22(19)2/h6-7,13-14H,4-5,8-12H2,1-3H3