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Product Overview

Product Code

TRC-B684012

CAS Number

1246816-61-4

Product Format

Neat

Molecular Formula

C813C3H5BrCl2N4

Molecular Weight

346.97

Product Categories

TRC, Anti-HIV agents, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

269055-75-6

Product Information

Chemical Data

Analyte Name

4-[(5-Bromo-4,6-dichloro-2-pyrimidinyl)amino]benzonitrile-13C3

CAS Number

1246816-61-4

Molecular Formula

C813C3H5BrCl2N4

Molecular Weight

346.97

Accurate Mass

344.9175

SMILES

Cl[13c]1nc(Nc2ccc(cc2)C#N)n[13c](Cl)[13c]1Br

InChI

InChI=1S/C11H5BrCl2N4/c12-8-9(13)17-11(18-10(8)14)16-7-3-1-6(5-15)2-4-7/h1-4H,(H,16,17,18)/i8+1,9+1,10+1

IUPAC

4-[(5-bromo-4,6-dichloro(4,5,6-13C3)pyrimidin-2-yl)amino]benzonitrile

Unlabelled CAS Number

269055-75-6

SIL Type

Carbon

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Intermediate in the preparation of HIV replication inhibitors

References: Ludovici, D., et al.: Bioorg. Med. Chem. Lett., 11, 2235 (2001),

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4-[(5-Bromo-4,6-dichloro-2-pyrimidinyl)amino]benzonitrile-13C3

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