AS-1669058

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H15BrF2N4O.C2H2O4
Molecular Weight	511.274
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(O)=O.CC1=CC(NCCC2=C[N+]([O-])=CC=C2)=NC(=N1)C3=CC(F)=C(Br)C=C3F

InChI

InChIKey=RHZMWZFMDCGRBP-UHFFFAOYSA-N

InChI=1S/C18H15BrF2N4O.C2H2O4/c1-11-7-17(22-5-4-12-3-2-6-25(26)10-12)24-18(23-11)13-8-16(21)14(19)9-15(13)20;3-1(4)2(5)6/h2-3,6-10H,4-5H2,1H3,(H,22,23,24);(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula	C2H2O4
Molecular Weight	90.0349
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C18H15BrF2N4O
Molecular Weight	421.239
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:14:37 GMT 2023` Edited by `admin` on `Sat Dec 16 05:14:37 GMT 2023`
Record UNII	RY82B826ND
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AS-1669058

Common Name

English

4-PYRIMIDINAMINE, 2-(4-BROMO-2,5-DIFLUOROPHENYL)-6-METHYL-N-(2-(1-OXIDO-3-PYRIDINYL)ETHYL)-, ETHANEDIOATE (1:1)

Systematic Name

English

2-(4-BROMO-2,5-DIFLUOROPHENYL)-6-METHYL-N-(2-(1-OXIDOPYRIDIN-3-YL)ETHYL)PYRIMIDIN-4-AMINE ETHANEDIOATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20161102

Created by admin on Sat Dec 16 05:14:37 GMT 2023 , Edited by admin on Sat Dec 16 05:14:37 GMT 2023

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CAS

1395553-32-8

Created by admin on Sat Dec 16 05:14:37 GMT 2023 , Edited by admin on Sat Dec 16 05:14:37 GMT 2023

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FDA UNII

RY82B826ND

Created by admin on Sat Dec 16 05:14:37 GMT 2023 , Edited by admin on Sat Dec 16 05:14:37 GMT 2023

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PUBCHEM

66553973

Created by admin on Sat Dec 16 05:14:37 GMT 2023 , Edited by admin on Sat Dec 16 05:14:37 GMT 2023

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Related Record Type Details


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