Analyte Name

Mono Nitroso Rilpivirine d4

Molecular Formula

C22H13D4N7O

Molecular Weight

399.45

Accurate Mass

399.17

SMILES

N#C/C=C/C1=CC(C)=C(N(C2=CC=NC(NC3=C([2H])C([2H])=C(C([2H])=C3[2H])C#N)=N2)N=O)C(C)=C1

InChI

InChI=1S/C22H17N7O/c1-15-12-18(4-3-10-23)13-16(2)21(15)29(28-30)20-9-11-25-22(27-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H,25,26,27)/b4-3+/i5D,6D,7D,8D

IUPAC

(E)-N-(2-((4-Cyanophenyl-2,3,5,6-d4)amino)pyrimidin-4-yl)-N-(4-(2-cyanovinyl)-2,6-dimethylphenyl)nitrous Amide

Unlabelled CAS Number

943826-79-7

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat