2,8-Dichloro-1H-adenine

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H3Cl2N5
Molecular Weight	204.017
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,8-Dichloro-1H-adenine

Structure Search

SMILES

NC1=NC(Cl)=NC2=C1NC(Cl)=N2

InChI

InChIKey=KTWHRTDJQIMWMY-UHFFFAOYSA-N

InChI=1S/C5H3Cl2N5/c6-4-9-1-2(8)10-5(7)12-3(1)11-4/h(H3,8,9,10,11,12)

HIDE SMILES / InChI

Molecular Formula	C5H3Cl2N5
Molecular Weight	204.017
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 `Tue Apr 01 17:54:23 GMT 2025` Edited by `admin` on `Tue Apr 01 17:54:23 GMT 2025`
Record UNII	Y88VDH2U98
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,8-Dichloro-7H-purin-6-amine

Preferred Name

English

2,8-Dichloro-1H-adenine

Systematic Name

English

9H-Purin-6-amine, 2,8-dichloro-

Systematic Name

English

2,8-Dichloro-9H-purin-6-amine

Systematic Name

English

2,8-Dichloroadenine

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70183394

Created by admin on Tue Apr 01 17:54:23 GMT 2025 , Edited by admin on Tue Apr 01 17:54:23 GMT 2025

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ECHA (EC/EINECS)

220-827-2

Created by admin on Tue Apr 01 17:54:23 GMT 2025 , Edited by admin on Tue Apr 01 17:54:23 GMT 2025

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FDA UNII

Y88VDH2U98

Created by admin on Tue Apr 01 17:54:23 GMT 2025 , Edited by admin on Tue Apr 01 17:54:23 GMT 2025

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PUBCHEM

76202

Created by admin on Tue Apr 01 17:54:23 GMT 2025 , Edited by admin on Tue Apr 01 17:54:23 GMT 2025

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CAS

2914-09-2

Created by admin on Tue Apr 01 17:54:23 GMT 2025 , Edited by admin on Tue Apr 01 17:54:23 GMT 2025

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