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

Systemtic Name: N-[7-nitro-2,4-bis(oxidanylidene)-6-(2-phenoxyethylamino)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[7-nitro-2,4-dioxo-6-(2-phenoxyethylamino)-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[7-nitro-2,4-dioxo-6-(2-phenoxyethylamino)-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[7-nitro-2,4-dioxo-6-(2-phenoxyethylamino)-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[2,4-diketo-7-nitro-6-(2-phenoxyethylamino)-1H-quinazolin-3-yl]methanesulfonamide Formula: C17H17N5O7S MolecularWeight: 435.41118

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCCOC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])NCCOC3=CC=CC=C3

InChI

InChI=1S/C17H17N5O7S/c1-30(27,28)20-21-16(23)12-9-14(15(22(25)26)10-13(12)19-17(21)24)18-7-8-29-11-5-3-2-4-6-11/h2-6,9-10,18,20H,7-8H2,1H3,(H,19,24)