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

Systemtic Name: N-[6-azanyl-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-(6-amino-7-nitro-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide CAS Name: N-(6-amino-7-nitro-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide IUPAC Name: N-(6-amino-7-nitro-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide Traditional Name: N-(6-amino-2,4-diketo-7-nitro-1H-quinazolin-3-yl)methanesulfonamide Formula: C9H9N5O6S MolecularWeight: 315.26266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N5O6S/c1-21(19,20)12-13-8(15)4-2-5(10)7(14(17)18)3-6(4)11-9(13)16/h2-3,12H,10H2,1H3,(H,11,16)