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

Systemtic Name: 6-[4-[3-[[2-(dimethylamino)-4-nitro-phenyl]amino]propyl]-1,4-diazepan-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-[3-[2-(dimethylamino)-4-nitro-anilino]propyl]-1,4-diazepan-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-[3-[2-(dimethylamino)-4-nitroanilino]propyl]-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-[3-[2-(dimethylamino)-4-nitroanilino]propyl]-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 6-[4-[3-[2-(dimethylamino)-4-nitro-anilino]propyl]-1,4-diazepan-1-yl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C22H33N7O4 MolecularWeight: 459.54192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CCCN(CC2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])N(C)C

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CCCN(CC2)CCCNC3=C(C=C(C=C3)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C22H33N7O4/c1-24(2)19-15-17(29(32)33)7-8-18(19)23-9-5-10-27-11-6-12-28(14-13-27)20-16-21(30)26(4)22(31)25(20)3/h7-8,15-16,23H,5-6,9-14H2,1-4H3