Analyte Name

Mono Nitroso Riociguat

Molecular Formula

C20H18FN9O3

Molecular Weight

451.42

Accurate Mass

451.15

SMILES

NC1=NC(C2=NN(CC3=C(F)C=CC=C3)C4=C2C=CC=N4)=NC(NN=O)=C1N(C)C(OC)=O

InChI

InChI=1S/C20H20FN9O3/c1-29(20(31)33-2)15-16(22)24-17(25-18(15)26-28-32)14-12-7-5-9-23-19(12)30(27-14)10-11-6-3-4-8-13(11)21/h3-9,15,18H,10H2,1-2H3,(H,26,32)(H2,22,24,25)

IUPAC

methyl (4-amino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-6-(nitrosoamino)pyrimidin-5-yl)(methyl)carbamate

Country of Origin

CANADA

Product Type

Contaminant

Product Format

Neat