8-(DECYLTHIO)-CAFFEINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H30N4O2S
Molecular Weight	366.521
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(DECYLTHIO)-CAFFEINE

Structure Search

SMILES

CCCCCCCCCCSC1=NC2=C(N1C)C(=O)N(C)C(=O)N2C

InChI

InChIKey=BVEBFAGNKHKOOC-UHFFFAOYSA-N

InChI=1S/C18H30N4O2S/c1-5-6-7-8-9-10-11-12-13-25-17-19-15-14(20(17)2)16(23)22(4)18(24)21(15)3/h5-13H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

8-(DECYLTHIO)-CAFFEINE

Systematic Name

English

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

Systematic Name

English

CAFFEINE, 8-(DECYLTHIO)-

Systematic Name

English

NSC-81489

Code

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

33183

Created by admin on Sat Dec 16 12:43:27 GMT 2023 , Edited by admin on Sat Dec 16 12:43:27 GMT 2023

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NSC

81489

Created by admin on Sat Dec 16 12:43:27 GMT 2023 , Edited by admin on Sat Dec 16 12:43:27 GMT 2023

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CAS

25837-26-7

Created by admin on Sat Dec 16 12:43:27 GMT 2023 , Edited by admin on Sat Dec 16 12:43:27 GMT 2023

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EPA CompTox

DTXSID80180490

Created by admin on Sat Dec 16 12:43:27 GMT 2023 , Edited by admin on Sat Dec 16 12:43:27 GMT 2023

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FDA UNII

8EI2N05P9W

Created by admin on Sat Dec 16 12:43:27 GMT 2023 , Edited by admin on Sat Dec 16 12:43:27 GMT 2023

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SUBSTANCE RECORD


					8EI2N05P9W

8-(DECYLTHIO)-CAFFEINE