Analyte Name

Vericiguat (DMSO Solvate)

CAS Number

1438425-69-4

Molecular Formula

C19H16F2N8O2.2C2H6OS

Molecular Weight

582.65

Accurate Mass

582.16

SMILES

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

InChI

InChI=1S/C19H16F2N8O2.2C2H6OS/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21;2*1-4(2)3/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27);2*1-2H3

IUPAC

Methyl (4,6-diamino-2-(5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)carbamate--(methylsulfinyl)methane

Alternate CAS Number

Free base: 1350653-20-1

Country of Origin

CANADA

Product Format

Neat