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

Systemtic Name: N-[6-[4-(hydroxymethyl)imidazol-1-yl]-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-[4-(hydroxymethyl)imidazol-1-yl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-[4-(hydroxymethyl)-1-imidazolyl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-[4-(hydroxymethyl)imidazol-1-yl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[2,4-diketo-6-(4-methylolimidazol-1-yl)-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C13H12N6O7S MolecularWeight: 396.33538

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N3C=C(N=C3)CO

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=CC(=C(C=C2NC1=O)[N+](=O)[O-])N3C=C(N=C3)CO

InChI

InChI=1S/C13H12N6O7S/c1-27(25,26)16-18-12(21)8-2-10(17-4-7(5-20)14-6-17)11(19(23)24)3-9(8)15-13(18)22/h2-4,6,16,20H,5H2,1H3,(H,15,22)