3-((2-Amino-1H-purin-6-yl)thio)propionic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9N5O2S
Molecular Weight	239.254
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-((2-Amino-1H-purin-6-yl)thio)propionic acid

Structure Search

SMILES

NC1=NC(SCCC(O)=O)=C2NC=NC2=N1

InChI

InChIKey=AGEPYGNRWZRUOT-UHFFFAOYSA-N

InChI=1S/C8H9N5O2S/c9-8-12-6-5(10-3-11-6)7(13-8)16-2-1-4(14)15/h3H,1-2H2,(H,14,15)(H3,9,10,11,12,13)

HIDE SMILES / InChI

Molecular Formula	C8H9N5O2S
Molecular Weight	239.254
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 13:13:56 GMT 2023` Edited by `admin` on `Sat Dec 16 13:13:56 GMT 2023`
Record UNII	GHW4K82JY8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-((2-Amino-1H-purin-6-yl)thio)propionic acid

Systematic Name

English

3-[(2-Amino-9H-purin-6-yl)thio]propanoic acid

Systematic Name

English

Propanoic acid, 3-[(2-amino-9H-purin-6-yl)thio]-

Systematic Name

English

Code System Code Type Description

CAS

93919-44-9

Created by admin on Sat Dec 16 13:13:56 GMT 2023 , Edited by admin on Sat Dec 16 13:13:56 GMT 2023

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FDA UNII

GHW4K82JY8

Created by admin on Sat Dec 16 13:13:56 GMT 2023 , Edited by admin on Sat Dec 16 13:13:56 GMT 2023

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PUBCHEM

3022926

Created by admin on Sat Dec 16 13:13:56 GMT 2023 , Edited by admin on Sat Dec 16 13:13:56 GMT 2023

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EPA CompTox

DTXSID40239892

Created by admin on Sat Dec 16 13:13:56 GMT 2023 , Edited by admin on Sat Dec 16 13:13:56 GMT 2023

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ECHA (EC/EINECS)

300-029-1

Created by admin on Sat Dec 16 13:13:56 GMT 2023 , Edited by admin on Sat Dec 16 13:13:56 GMT 2023

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