3-[[4-[[5-chloranyl-2,4-bis(fluoranyl)-1,4-dihydropyrimidin-6-yl]amino]phenyl]diazenyl]-5-(phenoxymethylideneamino)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: 3-[[4-[[5-chloranyl-2,4-bis(fluoranyl)-1,4-dihydropyrimidin-6-yl]amino]phenyl]diazenyl]-5-(phenoxymethylideneamino)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: 3-[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]phenyl]azo-5-(phenoxymethyleneamino)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: 3-[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]phenyl]azo-5-(phenoxymethylideneamino)-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: 3-[[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]phenyl]diazenyl]-5-(phenoxymethylideneamino)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: 3-[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]phenyl]azo-5-(phenoxymethyleneamino)-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C27H19ClF2N6O7S2 MolecularWeight: 677.055566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC=NC2=CC(=CC3=CC(=C(C=C32)N=NC4=CC=C(C=C4)NC5=C(C(N=C(N5)F)F)Cl)S(=O)(=O)O)SOOO

Isomeric SMILES

C1=CC=C(C=C1)OC=NC2=CC(=CC3=CC(=C(C=C32)N=NC4=CC=C(C=C4)NC5=C(C(N=C(N5)F)F)Cl)S(=O)(=O)O)SOOO

InChI

InChI=1S/C27H19ClF2N6O7S2/c28-24-25(29)33-27(30)34-26(24)32-16-6-8-17(9-7-16)35-36-22-13-20-15(11-23(22)45(38,39)40)10-19(44-43-42-37)12-21(20)31-14-41-18-4-2-1-3-5-18/h1-14,25,32,37H,(H,33,34)(H,38,39,40)