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

Systemtic Name: N-[6-(2-methylimidazol-1-yl)-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-(2-methylimidazol-1-yl)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-(2-methyl-1-imidazolyl)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-(2-methylimidazol-1-yl)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[2,4-diketo-6-(2-methylimidazol-1-yl)-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C13H12N6O6S MolecularWeight: 380.33598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=C(C=C3C(=C2)C(=O)N(C(=O)N3)NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CN1C2=C(C=C3C(=C2)C(=O)N(C(=O)N3)NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O6S/c1-7-14-3-4-17(7)10-5-8-9(6-11(10)19(22)23)15-13(21)18(12(8)20)16-26(2,24)25/h3-6,16H,1-2H3,(H,15,21)