N-[6-[2-(1H-imidazol-5-yl)ethylamino]-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide

Systemtic Name: N-[6-[2-(1H-imidazol-5-yl)ethylamino]-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-[2-(1H-imidazol-5-yl)ethylamino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-[2-(1H-imidazol-5-yl)ethylamino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-[2-(1H-imidazol-5-yl)ethylamino]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-[2-(1H-imidazol-5-yl)ethylamino]-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C14H15N7O6S MolecularWeight: 409.3772

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCCC3=CN=CN3

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCCC3=CN=CN3

InChI

InChI=1S/C14H15N7O6S/c1-28(26,27)19-20-13(22)9-4-11(16-3-2-8-6-15-7-17-8)12(21(24)25)5-10(9)18-14(20)23/h4-7,16,19H,2-3H2,1H3,(H,15,17)(H,18,23)