2-THIO-HETEROXANTHINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H6N4OS
Molecular Weight	182.203
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-THIO-HETEROXANTHINE

Structure Search

SMILES

CN1C=NC2=NC(S)=NC(O)=C12

InChI

InChIKey=DTBQXFPNEUQMFC-UHFFFAOYSA-N

InChI=1S/C6H6N4OS/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)

HIDE SMILES / InChI

Molecular Formula	C6H6N4OS
Molecular Weight	182.203
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 19:43:33 GMT 2025` Edited by `admin` on `Tue Apr 01 19:43:33 GMT 2025`
Record UNII	WU4RN0OO3N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-7862

Preferred Name

English

2-THIO-HETEROXANTHINE

Systematic Name

English

6H-PURIN-6-ONE, 1,2,3,7-TETRAHYDRO-7-METHYL-2-THIOXO-

Systematic Name

English

1,2,3,7-TETRAHYDRO-7-METHYL-2-THIOXO-6H-PURIN-6-ONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90205921

Created by admin on Tue Apr 01 19:43:33 GMT 2025 , Edited by admin on Tue Apr 01 19:43:33 GMT 2025

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NSC

7862

Created by admin on Tue Apr 01 19:43:33 GMT 2025 , Edited by admin on Tue Apr 01 19:43:33 GMT 2025

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FDA UNII

WU4RN0OO3N

Created by admin on Tue Apr 01 19:43:33 GMT 2025 , Edited by admin on Tue Apr 01 19:43:33 GMT 2025

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PUBCHEM

3031262

Created by admin on Tue Apr 01 19:43:33 GMT 2025 , Edited by admin on Tue Apr 01 19:43:33 GMT 2025

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CAS

5730-09-6

Created by admin on Tue Apr 01 19:43:33 GMT 2025 , Edited by admin on Tue Apr 01 19:43:33 GMT 2025

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