2-[[2-(aminocarbonylamino)-4-[[4-(2-azanylpropylamino)-6-fluoranyl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid

Systemtic Name: 2-[[2-(aminocarbonylamino)-4-[[4-(2-azanylpropylamino)-6-fluoranyl-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid Openeye Name: 2-[4-[[4-(2-aminopropylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azo-5-(4-sulfophenyl)azo-benzenesulfonic acid CAS Name: 2-[4-[[4-(2-aminopropylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]azo-5-(4-sulfophenyl)azobenzenesulfonic acid IUPAC Name: 2-[[4-[[4-(2-aminopropylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]diazenyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid Traditional Name: 2-[4-[[4-(2-aminopropylamino)-6-fluoro-s-triazin-2-yl]amino]-2-ureido-phenyl]azo-5-(4-sulfophenyl)azo-besylic acid Formula: C25H25FN12O7S2 MolecularWeight: 688.670603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)F)N

Isomeric SMILES

CC(CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)F)N

InChI

InChI=1S/C25H25FN12O7S2/c1-13(27)12-29-24-32-22(26)33-25(34-24)30-15-4-8-18(20(10-15)31-23(28)39)37-38-19-9-5-16(11-21(19)47(43,44)45)36-35-14-2-6-17(7-3-14)46(40,41)42/h2-11,13H,12,27H2,1H3,(H3,28,31,39)(H,40,41,42)(H,43,44,45)(H2,29,30,32,33,34)