8-(DECYLTHIO)-THEOPHYLLINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H28N4O2S
Molecular Weight	352.495
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(DECYLTHIO)-THEOPHYLLINE

Structure Search

SMILES

CCCCCCCCCCSC1=NC2=C(N1)N(C)C(=O)N(C)C2=O

InChI

InChIKey=GYGNUNLWTDHSHZ-UHFFFAOYSA-N

InChI=1S/C17H28N4O2S/c1-4-5-6-7-8-9-10-11-12-24-16-18-13-14(19-16)20(2)17(23)21(3)15(13)22/h4-12H2,1-3H3,(H,18,19)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

8-(DECYLTHIO)-THEOPHYLLINE

Systematic Name

English

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

Systematic Name

English

NSC-81479

Code

English

THEOPHYLLINE, 8-(DECYLTHIO)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

698AW632Y2

Created by admin on Sat Dec 16 13:10:32 GMT 2023 , Edited by admin on Sat Dec 16 13:10:32 GMT 2023

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PUBCHEM

96605

Created by admin on Sat Dec 16 13:10:32 GMT 2023 , Edited by admin on Sat Dec 16 13:10:32 GMT 2023

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CAS

25837-29-0

Created by admin on Sat Dec 16 13:10:32 GMT 2023 , Edited by admin on Sat Dec 16 13:10:32 GMT 2023

PRIMARY

EPA CompTox

DTXSID40180491

Created by admin on Sat Dec 16 13:10:32 GMT 2023 , Edited by admin on Sat Dec 16 13:10:32 GMT 2023

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NSC

81479

Created by admin on Sat Dec 16 13:10:32 GMT 2023 , Edited by admin on Sat Dec 16 13:10:32 GMT 2023

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SUBSTANCE RECORD


					698AW632Y2

8-(DECYLTHIO)-THEOPHYLLINE