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

Systemtic Name: 6-[4-[3-(2-ethanoyl-4-nitro-phenoxy)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-[3-(2-acetyl-4-nitro-phenoxy)propyl]piperazin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[3-(2-acetyl-4-nitrophenoxy)propyl]-1-piperazinyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[3-(2-acetyl-4-nitrophenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[3-(2-acetyl-4-nitro-phenoxy)propyl]piperazino]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C21H27N5O6 MolecularWeight: 445.46898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O6/c1-15(27)17-13-16(26(30)31)5-6-18(17)32-12-4-7-24-8-10-25(11-9-24)19-14-20(28)23(3)21(29)22(19)2/h5-6,13-14H,4,7-12H2,1-3H3