2-(2-AMINO-6-(BENZYLTHIO)-9H-PURIN-9-YL)ETHANOL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H15N5OS
Molecular Weight	301.367
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(2-AMINO-6-(BENZYLTHIO)-9H-PURIN-9-YL)ETHANOL

Structure Search

SMILES

NC1=NC(SCC2=CC=CC=C2)=C3N=CN(CCO)C3=N1

InChI

InChIKey=KRXTVNPUCJMDKZ-UHFFFAOYSA-N

InChI=1S/C14H15N5OS/c15-14-17-12-11(16-9-19(12)6-7-20)13(18-14)21-8-10-4-2-1-3-5-10/h1-5,9,20H,6-8H2,(H2,15,17,18)

HIDE SMILES / InChI

Molecular Formula	C14H15N5OS
Molecular Weight	301.367
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 12:56:12 GMT 2023` Edited by `admin` on `Sat Dec 16 12:56:12 GMT 2023`
Record UNII	PGF4D65S15
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(2-AMINO-6-(BENZYLTHIO)-9H-PURIN-9-YL)ETHANOL

Systematic Name

English

9H-PURINE-9-ETHANOL, 2-AMINO-6-((PHENYLMETHYL)THIO)-

Systematic Name

English

NSC-82646

Code

English

9H-PURINE-9-ETHANOL, 2-AMINO-6-(BENZYLTHIO)-

Systematic Name

English

Code System Code Type Description

FDA UNII

PGF4D65S15

Created by admin on Sat Dec 16 12:56:12 GMT 2023 , Edited by admin on Sat Dec 16 12:56:12 GMT 2023

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EPA CompTox

DTXSID70182741

Created by admin on Sat Dec 16 12:56:12 GMT 2023 , Edited by admin on Sat Dec 16 12:56:12 GMT 2023

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PUBCHEM

256206

Created by admin on Sat Dec 16 12:56:12 GMT 2023 , Edited by admin on Sat Dec 16 12:56:12 GMT 2023

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NSC

82646

Created by admin on Sat Dec 16 12:56:12 GMT 2023 , Edited by admin on Sat Dec 16 12:56:12 GMT 2023

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CAS

2852-31-5

Created by admin on Sat Dec 16 12:56:12 GMT 2023 , Edited by admin on Sat Dec 16 12:56:12 GMT 2023

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