8-(BUTYLTHIO)XANTHINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H12N4O2S
Molecular Weight	240.282
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(BUTYLTHIO)XANTHINE

Structure Search

SMILES

CCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChIKey=FHSDDYQZPCCDJS-UHFFFAOYSA-N

InChI=1S/C9H12N4O2S/c1-2-3-4-16-9-10-5-6(12-9)11-8(15)13-7(5)14/h2-4H2,1H3,(H3,10,11,12,13,14,15)

HIDE SMILES / InChI

Molecular Formula	C9H12N4O2S
Molecular Weight	240.282
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 22:29:46 GMT 2025` Edited by `admin` on `Tue Apr 01 22:29:46 GMT 2025`
Record UNII	1OU4QPQ7KJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-81501

Preferred Name

English

8-(BUTYLTHIO)XANTHINE

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-(BUTYLTHIO)-3,9-DIHYDRO-

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-(BUTYLTHIO)-3,7-DIHYDRO-

Systematic Name

English

Code System Code Type Description

CAS

73840-28-5

Created by admin on Tue Apr 01 22:29:46 GMT 2025 , Edited by admin on Tue Apr 01 22:29:46 GMT 2025

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NSC

81501

Created by admin on Tue Apr 01 22:29:46 GMT 2025 , Edited by admin on Tue Apr 01 22:29:46 GMT 2025

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PUBCHEM

96610

Created by admin on Tue Apr 01 22:29:46 GMT 2025 , Edited by admin on Tue Apr 01 22:29:46 GMT 2025

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EPA CompTox

DTXSID90994969

Created by admin on Tue Apr 01 22:29:46 GMT 2025 , Edited by admin on Tue Apr 01 22:29:46 GMT 2025

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FDA UNII

1OU4QPQ7KJ

Created by admin on Tue Apr 01 22:29:46 GMT 2025 , Edited by admin on Tue Apr 01 22:29:46 GMT 2025

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