• 
  [Synonyms]
  NSC689869
  AIDS151003
  AIDS-151003
  NCI60_032320
  9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-6-(hydroxy(oxido)amino)-2-methoxyacridine
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	466.46982 [g/mol]
  Molecular Formula	C21H18N6O5S
  XLogP	2.6
  H-Bond Donor	3
  H-Bond Acceptor	10
  Rotatable Bond Count	5
  Tautomer Count	4
  Exact Mass	466.105938
  MonoIsotopic Mass	466.105938
  Topological Polar Surface Area	176
  Heavy Atom Count	33
  Formal Charge	0
  Complexity	831
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 2-[4-[(2-methoxy-6-nitroacridin-9-yl)amino]phenyl]sulfonylguanidine
  Canonical SMILES: COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)N=
  C(N)N
  InChI: InChI=1/C21H18N6O5S/c1-32-14-5-9-18-17(11-14)20(16-8-4-13(27(28)29)10-19
  (16)25-18)24-12-2-6-15(7-3-12)33(30,31)26-21(22)23/h2-11H,1H3,(H,24,
  25)(H4,22,23,26)/f/h24H,22-23H2