N-[3-[[(6-nitro-4-oxidanylidene-1H-quinazolin-7-yl)amino]methyl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[(6-nitro-4-oxidanylidene-1H-quinazolin-7-yl)amino]methyl]phenyl]methanesulfonamide Openeye Name: N-[3-[[(6-nitro-4-oxo-1H-quinazolin-7-yl)amino]methyl]phenyl]methanesulfonamide CAS Name: N-[3-[[(6-nitro-4-oxo-1H-quinazolin-7-yl)amino]methyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[[(6-nitro-4-oxo-1H-quinazolin-7-yl)amino]methyl]phenyl]methanesulfonamide Traditional Name: N-[3-[[(4-keto-6-nitro-1H-quinazolin-7-yl)amino]methyl]phenyl]methanesulfonamide Formula: C16H15N5O5S MolecularWeight: 389.3858

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O5S/c1-27(25,26)20-11-4-2-3-10(5-11)8-17-14-7-13-12(6-15(14)21(23)24)16(22)19-9-18-13/h2-7,9,17,20H,8H2,1H3,(H,18,19,22)