6-[[(3-Chlorophenyl)methyl]thio]-9H-purine

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H9ClN4S
Molecular Weight	276.745
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-[[(3-Chlorophenyl)methyl]thio]-9H-purine

Structure Search

SMILES

ClC1=CC(CSC2=C3N=CNC3=NC=N2)=CC=C1

InChI

InChIKey=KFAOWRCIGSQBSV-UHFFFAOYSA-N

InChI=1S/C12H9ClN4S/c13-9-3-1-2-8(4-9)5-18-12-10-11(15-6-14-10)16-7-17-12/h1-4,6-7H,5H2,(H,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula	C12H9ClN4S
Molecular Weight	276.745
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 20:02:53 GMT 2025` Edited by `admin` on `Tue Apr 01 20:02:53 GMT 2025`
Record UNII	L7AV5Z4CBS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-50709

Preferred Name

English

6-[[(3-Chlorophenyl)methyl]thio]-9H-purine

Systematic Name

English

9H-Purine, 6-[[(3-chlorophenyl)methyl]thio]-

Systematic Name

English

Purine, 6-[(m-chlorobenzyl)thio]-

Systematic Name

English

Code System Code Type Description

PUBCHEM

96074

Created by admin on Tue Apr 01 20:02:53 GMT 2025 , Edited by admin on Tue Apr 01 20:02:53 GMT 2025

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NSC

50709

Created by admin on Tue Apr 01 20:02:53 GMT 2025 , Edited by admin on Tue Apr 01 20:02:53 GMT 2025

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CAS

5069-69-2

Created by admin on Tue Apr 01 20:02:53 GMT 2025 , Edited by admin on Tue Apr 01 20:02:53 GMT 2025

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FDA UNII

L7AV5Z4CBS

Created by admin on Tue Apr 01 20:02:53 GMT 2025 , Edited by admin on Tue Apr 01 20:02:53 GMT 2025

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EPA CompTox

DTXSID80198732

Created by admin on Tue Apr 01 20:02:53 GMT 2025 , Edited by admin on Tue Apr 01 20:02:53 GMT 2025

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