2-[[ethyl-(3-methyl-5-nitro-imidazol-4-yl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[ethyl-(3-methyl-5-nitro-imidazol-4-yl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[ethyl-(3-methyl-5-nitro-imidazol-4-yl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[ethyl-(3-methyl-5-nitro-4-imidazolyl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[ethyl-(3-methyl-5-nitroimidazol-4-yl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[ethyl-(3-methyl-5-nitro-imidazol-4-yl)amino]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C17H20N6O5 MolecularWeight: 388.3779

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C3=C(N=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C3=C(N=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O5/c1-5-22(17-15(23(25)26)18-9-21(17)2)8-14-19-11-7-13(28-4)12(27-3)6-10(11)16(24)20-14/h6-7,9H,5,8H2,1-4H3,(H,19,20,24)