2-[[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H21FN8O2S2 MolecularWeight: 488.561543

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

InChI

InChI=1S/C20H21FN8O2S2/c1-2-9-29-16-8-7-14(33(23,30)31)10-15(16)25-20(29)32-11-17-26-18(22)28-19(27-17)24-13-5-3-12(21)4-6-13/h3-8,10H,2,9,11H2,1H3,(H2,23,30,31)(H3,22,24,26,27,28)