2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile

Inquiry

For Research Use Only.

Category

Impurities

Cat.No.

NP3016

CAS

865758-96-9

Product Name

2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]benzonitrile

Structure

Description

A metabolite of Aloesin

Synonyms

2-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-benzonitrile

IUPAC Name

2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile

Molecular Weight

275.7

Molecular Formula

C13H10ClN3O2

Canonical SMILES

CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)Cl

InChI

InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3

InChIKey

BVUJISIVAHYNLI-UHFFFAOYSA-N

Purity

> 95%

Appearance

Solid powder

Form

Powder

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