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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

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
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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
PRIMARY
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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