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

Systemtic Name: N-[7-nitro-2,4-bis(oxidanylidene)-6-(2-oxidanylpropylamino)-1H-quinazolin-3-yl]methanesulfonamide Openeye Name: N-[6-(2-hydroxypropylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide CAS Name: N-[6-(2-hydroxypropylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide IUPAC Name: N-[6-(2-hydroxypropylamino)-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide Traditional Name: N-[6-(2-hydroxypropylamino)-2,4-diketo-7-nitro-1H-quinazolin-3-yl]methanesulfonamide Formula: C12H15N5O7S MolecularWeight: 373.3418

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)NS(=O)(=O)C)[N+](=O)[O-])O

Isomeric SMILES

CC(CNC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)NS(=O)(=O)C)[N+](=O)[O-])O

InChI

InChI=1S/C12H15N5O7S/c1-6(18)5-13-9-3-7-8(4-10(9)17(21)22)14-12(20)16(11(7)19)15-25(2,23)24/h3-4,6,13,15,18H,5H2,1-2H3,(H,14,20)