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

Systemtic Name: N-[6-[4-(cyanomethyl)imidazol-1-yl]-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-[4-(cyanomethyl)imidazol-1-yl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-[4-(cyanomethyl)-1-imidazolyl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-[4-(cyanomethyl)imidazol-1-yl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-[4-(cyanomethyl)imidazol-1-yl]-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C14H11N7O6S MolecularWeight: 405.34544

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N3C=C(N=C3)CC#N

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N3C=C(N=C3)CC#N

InChI

InChI=1S/C14H11N7O6S/c1-28(26,27)18-20-13(22)9-4-11(19-6-8(2-3-15)16-7-19)12(21(24)25)5-10(9)17-14(20)23/h4-7,18H,2H2,1H3,(H,17,23)