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

Systemtic Name: N-[7-nitro-2,4-bis(oxidanylidene)-6-(2-phenylmethoxyethylamino)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-(2-benzyloxyethylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[7-nitro-2,4-dioxo-6-(2-phenylmethoxyethylamino)-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[7-nitro-2,4-dioxo-6-(2-phenylmethoxyethylamino)-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-(2-benzoxyethylamino)-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C18H19N5O7S MolecularWeight: 449.43776

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCCOCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCCOCC3=CC=CC=C3

InChI

InChI=1S/C18H19N5O7S/c1-31(28,29)21-22-17(24)13-9-15(16(23(26)27)10-14(13)20-18(22)25)19-7-8-30-11-12-5-3-2-4-6-12/h2-6,9-10,19,21H,7-8,11H2,1H3,(H,20,25)