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

Systemtic Name: 6-[4-[3-[(4-ethanoyl-2-nitro-phenyl)amino]propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-[3-(4-acetyl-2-nitro-anilino)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[3-(4-acetyl-2-nitroanilino)propyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[3-(4-acetyl-2-nitroanilino)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[3-(4-acetyl-2-nitro-anilino)propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C21H28N6O5 MolecularWeight: 444.48422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O5/c1-15(28)16-5-6-17(18(13-16)27(31)32)22-7-4-8-25-9-11-26(12-10-25)19-14-20(29)24(3)21(30)23(19)2/h5-6,13-14,22H,4,7-12H2,1-3H3