8-((2-AMINOETHYL)THIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H13N5OS2
Molecular Weight	271.362
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-((2-AMINOETHYL)THIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE

Structure Search

SMILES

CN1C2=C(N=C(N2)SCCN)C(=S)N(C)C1=O

InChI

InChIKey=OHAMGOXGOKLILR-UHFFFAOYSA-N

InChI=1S/C9H13N5OS2/c1-13-6-5(7(16)14(2)9(13)15)11-8(12-6)17-4-3-10/h3-4,10H2,1-2H3,(H,11,12)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

8-((2-AMINOETHYL)THIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE

Common Name

English

THEOPHYLLINE, 8-(2-AMINOETHYL)THIO-6-THIO-

Systematic Name

English

NSC-99658

Code

English

THEOPHYLLINE, 8-((2-AMINOETHYL)THIO)-6-THIO-

Systematic Name

English

2H-PURIN-2-ONE, 8-((2-AMINOETHYL)THIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-

Systematic Name

English

Code System Code Type Description

FDA UNII

QH2WV9AI78

Created by admin on Sat Dec 16 12:55:56 GMT 2023 , Edited by admin on Sat Dec 16 12:55:56 GMT 2023

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PUBCHEM

3034555

Created by admin on Sat Dec 16 12:55:56 GMT 2023 , Edited by admin on Sat Dec 16 12:55:56 GMT 2023

PRIMARY

CAS

6559-88-2

Created by admin on Sat Dec 16 12:55:55 GMT 2023 , Edited by admin on Sat Dec 16 12:55:55 GMT 2023

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NSC

99658

Created by admin on Sat Dec 16 12:55:56 GMT 2023 , Edited by admin on Sat Dec 16 12:55:56 GMT 2023

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EPA CompTox

DTXSID40215853

Created by admin on Sat Dec 16 12:55:55 GMT 2023 , Edited by admin on Sat Dec 16 12:55:55 GMT 2023

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SUBSTANCE RECORD


					QH2WV9AI78

8-((2-AMINOETHYL)THIO)-1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-2H-PURIN-2-ONE