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

Systemtic Name: N-[6-[3-(hydroxymethyl)pyrrol-1-yl]-7-nitro-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-[3-(hydroxymethyl)pyrrol-1-yl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-[3-(hydroxymethyl)-1-pyrrolyl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-[3-(hydroxymethyl)pyrrol-1-yl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[2,4-diketo-6-(3-methylolpyrrol-1-yl)-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C14H13N5O7S MolecularWeight: 395.34732

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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=CC(=C3)CO

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O7S/c1-27(25,26)16-18-13(21)9-4-11(17-3-2-8(6-17)7-20)12(19(23)24)5-10(9)15-14(18)22/h2-6,16,20H,7H2,1H3,(H,15,22)