N-[6-(1,3-benzodioxol-5-ylmethylamino)-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide

Systemtic Name: N-[6-(1,3-benzodioxol-5-ylmethylamino)-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-(1,3-benzodioxol-5-ylmethylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-(1,3-benzodioxol-5-ylmethylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-(1,3-benzodioxol-5-ylmethylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[2,4-diketo-7-nitro-6-(piperonylamino)-1H-quinazolin-3-yl]methanesulfonamide Formula: C17H15N5O8S MolecularWeight: 449.3947

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N5O8S/c1-31(27,28)20-21-16(23)10-5-12(13(22(25)26)6-11(10)19-17(21)24)18-7-9-2-3-14-15(4-9)30-8-29-14/h2-6,18,20H,7-8H2,1H3,(H,19,24)