[[4-[[3-(aminocarbonylamino)-4-[[8-methyl-3-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-[[4-fluoranyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]boron

Systemtic Name: [[4-[[3-(aminocarbonylamino)-4-[[8-methyl-3-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-[[4-fluoranyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]boron Openeye Name: [[4-chloro-6-[4-[[8-methyl-3-sulfo-6-(trioxidanylsulfanyl)-2-naphthyl]azo]-3-ureido-anilino]-1,3,5-triazin-2-yl]amino]-[[4-fluoro-6-(methylamino)-1,3,5-triazin-2-yl]amino]boron CAS Name: [[4-[3-(carbamoylamino)-4-[[8-methyl-3-sulfo-6-(trioxidanylthio)-2-naphthalenyl]azo]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-[[4-fluoro-6-(methylamino)-1,3,5-triazin-2-yl]amino]boron IUPAC Name: [[4-[3-(carbamoylamino)-4-[[8-methyl-3-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]-[[4-fluoro-6-(methylamino)-1,3,5-triazin-2-yl]amino]boron Traditional Name: [[4-chloro-6-[4-[[8-methyl-3-sulfo-6-(trioxidanylthio)-2-naphthyl]azo]-3-ureido-anilino]-s-triazin-2-yl]amino]-[[4-fluoro-6-(methylamino)-s-triazin-2-yl]amino]boron Formula: C25H22BClFN14O7S2 MolecularWeight: 759.924183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B](NC1=NC(=NC(=N1)F)NC)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=C(C=C5C=C(C=C(C5=C4)C)SOOO)S(=O)(=O)O)NC(=O)N

Isomeric SMILES

[B](NC1=NC(=NC(=N1)F)NC)NC2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)N=NC4=C(C=C5C=C(C=C(C5=C4)C)SOOO)S(=O)(=O)O)NC(=O)N

InChI

InChI=1S/C25H22BClFN14O7S2/c1-10-5-13(50-49-48-44)6-11-7-18(51(45,46)47)17(9-14(10)11)42-41-15-4-3-12(8-16(15)32-21(29)43)31-23-33-19(27)34-24(38-23)39-26-40-25-36-20(28)35-22(30-2)37-25/h3-9,44H,1-2H3,(H3,29,32,43)(H,45,46,47)(H2,30,35,36,37,40)(H2,31,33,34,38,39)