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

Systemtic Name: N-[6-imidazol-1-yl-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-(6-imidazol-1-yl-7-nitro-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide CAS Name: N-[6-(1-imidazolyl)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-(6-imidazol-1-yl-7-nitro-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide Traditional Name: N-(6-imidazol-1-yl-2,4-diketo-7-nitro-1H-quinazolin-3-yl)methanesulfonamide Formula: C12H10N6O6S MolecularWeight: 366.3094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N6O6S/c1-25(23,24)15-17-11(19)7-4-9(16-3-2-13-6-16)10(18(21)22)5-8(7)14-12(17)20/h2-6,15H,1H3,(H,14,20)