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Product Overview

Product Code

TRC-P546830

CAS Number

2378093-62-8

Product Format

Neat

Molecular Formula

C27H28ClN5O5

Molecular Weight

538.0

Product Categories

TRC

Product Information

Chemical Data

Analyte Name

Pyraquinate

CAS Number

2378093-62-8

Molecular Formula

C27H28ClN5O5

Molecular Weight

538.0

Accurate Mass

537.18

SMILES

O=C(N(CC)CC)OC1=C(C(C)=NN1C)C(C2=CC=C3C(C(N(C4=CC(Cl)=CC=C4)C(N3C)=O)=O)=C2C)=O

InChI

InChI=1S/C27H28ClN5O5/c1-7-32(8-2)27(37)38-25-22(16(4)29-31(25)6)23(34)19-12-13-20-21(15(19)3)24(35)33(26(36)30(20)5)18-11-9-10-17(28)14-18/h9-14H,7-8H2,1-6H3

IUPAC

4-(3-(3-Chlorophenyl)-1,5-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carbonyl)-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamate

Product Data

Country of Origin

CANADA

Product Format

Neat

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