Analyte Name

Diaryltriazinone Mesylate

Molecular Formula

C55 H53 N13 O7

Molecular Weight

1008.092

Accurate Mass

1007.419

SMILES

CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc3ccc(cc3)c4nc(O)nc(n4)c5ccc(NCc6nc7cc(ccc7n6C)C(=O)N(CCC(=O)OCC)c8ccccn8)cc5)n2C)c9ccccn9

InChI

InChI=1S/C55H53N13O7/c1-5-74-49(69)25-29-67(45-11-7-9-27-56-45)53(71)37-17-23-43-41(31-37)60-47(65(43)3)33-58-39-19-13-35(14-20-39)51-62-52(64-55(73)63-51)36-15-21-40(22-16-36)59-34-48-61-42-32-38(18-24-44(42)66(48)4)54(72)68(30-26-50(70)75-6-2)46-12-8-10-28-57-46/h7-24,27-28,31-32,58-59H,5-6,25-26,29-30,33-34H2,1-4H3,(H,62,63,64,73)

IUPAC

ethyl 3-[[2-[[4-[4-[4-[[5-[(3-ethoxy-3-oxopropyl)-pyridin-2-ylcarbamoyl]-1-methylbenzimidazol-2-yl]methylamino]phenyl]-6-hydroxy-1,3,5-triazin-2-yl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat