N2-Acetyl Acyclovir Benzoate-d5

Analyte Name

N2-Acetyl Acyclovir Benzoate-d5

Molecular Formula

C17H12D5N5O5

Molecular Weight

376.38

Accurate Mass

376.15

SMILES

OC1=C2C(N(COCCOC(C3=C([2H])C([2H])=C([2H])C([2H])=C3[2H])=O)C=N2)=NC(NC(C)=O)=N1

InChI

InChI=1S/C17H17N5O5/c1-11(23)19-17-20-14-13(15(24)21-17)18-9-22(14)10-26-7-8-27-16(25)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H2,19,20,21,23,24)/i2D,3D,4D,5D,6D

IUPAC

2-((2-acetamido-6-hydroxy-9H-purin-9-yl)methoxy)ethyl benzoate-d5

Unlabelled CAS Number

133186-23-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat