Product Code

TRC-D449032

CAS Number

1246814-95-8

Product Format

Neat

Molecular Formula

C813C3H8N4O2

Molecular Weight

231.18

Product Categories

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

Product Type

Stable Isotope Labelled, Synthesis Tools

Unlabelled CAS Number

374067-80-8

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

4-[(4,6-Dihydroxy-2-pyrimidinyl)amino]benzonitrile-13C3

CAS Number

1246814-95-8

Molecular Formula

C813C3H8N4O2

Molecular Weight

231.18

Accurate Mass

231.0748

SMILES

O[13C]1=[13CH][13C](=O)NC(=N1)Nc2ccc(cc2)C#N

InChI

InChI=1S/C11H8N4O2/c12-6-7-1-3-8(4-2-7)13-11-14-9(16)5-10(17)15-11/h1-5H,(H3,13,14,15,16,17)/i5+1,9+1,10+1

IUPAC

4-((4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl-4,5,6-13C3)amino)benzonitrile

Unlabelled CAS Number

374067-80-8

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-[(4,6-Dihydroxy-2-pyrimidinyl)amino]benzonitrile-13C3

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