• 
  [Synonyms]
  1,2-4-Triazine deriv.
  NSC658726
  AIDS051037
  AIDS-051037
  NCI60_020653
  2,2-bis(5-Oxospiro[1H,4H-1,2,4-triazine-6,9'-fluorene]-3-ylthio)acetic acid
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	618.68488 [g/mol]
  Molecular Formula	C32H22N6O4S2
  XLogP	5.4
  H-Bond Donor	5
  H-Bond Acceptor	8
  Rotatable Bond Count	5
  Tautomer Count	6
  Exact Mass	618.114395
  MonoIsotopic Mass	618.114395
  Topological Polar Surface Area	144
  Heavy Atom Count	44
  Formal Charge	0
  Complexity	1140
  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: 2,2-bis[(5-oxospiro[1,2-dihydro-1,2,4-triazine-6,
  9'-fluorene]-3-yl)sulfanyl]acetic acid
  Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)N=C(NN4)SC(C(=O)O)SC5=NC(=O)C6(C7=CC=
  CC=C7C8=CC=CC=C86)NN5
  InChI: InChI=1/C32H22N6O4S2/c39-25(40)26(43-29-33-27(41)31(37-35-29)21-13-5-1-
  9-17(21)18-10-2-6-14-22(18)31)44-30-34-28(42)32(38-36-30)23-15-7-3-11-19
  (23)20-12-4-8-16-24(20)32/h1-16,26,37-38H,(H,39,40)(H,33,35,41)(H,34,36,
  42)/f/h35-36,39H