Analyte Name

N-Nitroso N-Desmethyl Riociguat

Molecular Formula

C19H16FN9O3

Molecular Weight

437.4

Accurate Mass

437.14

SMILES

NC1=C(N(N=O)C(OC)=O)C(N)=NC(C2=NN(CC3=CC=CC=C3F)C4=C2C=CC=N4)=N1

InChI

InChI=1S/C19H16FN9O3/c1-32-19(30)29(27-31)14-15(21)24-17(25-16(14)22)13-11-6-4-8-23-18(11)28(26-13)9-10-5-2-3-7-12(10)20/h2-8H,9H2,1H3,(H4,21,22,24,25)

IUPAC

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

Country of Origin

CANADA

Product Format

Neat