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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N3CCC3

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N3CCC3

InChI

InChI=1S/C12H13N5O6S/c1-24(22,23)14-16-11(18)7-5-9(15-3-2-4-15)10(17(20)21)6-8(7)13-12(16)19/h5-6,14H,2-4H2,1H3,(H,13,19)