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

Systemtic Name: N-[6-(cyclopropylamino)-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-(cyclopropylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-(cyclopropylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-(cyclopropylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-(cyclopropylamino)-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C12H13N5O6S MolecularWeight: 355.32652

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-])NC3CC3

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NC3CC3

InChI

InChI=1S/C12H13N5O6S/c1-24(22,23)15-16-11(18)7-4-9(13-6-2-3-6)10(17(20)21)5-8(7)14-12(16)19/h4-6,13,15H,2-3H2,1H3,(H,14,19)