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Details

Stereochemistry ACHIRAL
Molecular Formula C13H13N5OS2
Molecular Weight 319.405
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((4-PYRIDINYLMETHYL)THIO)-6-THIOXO-2H-PURIN-2-ONE

SMILES

CN1C2=C(N=C(N2)SCC3=CC=NC=C3)C(=S)N(C)C1=O

InChI

InChIKey=HSSOACXLVAMCIS-UHFFFAOYSA-N
InChI=1S/C13H13N5OS2/c1-17-10-9(11(20)18(2)13(17)19)15-12(16-10)21-7-8-3-5-14-6-4-8/h3-6H,7H2,1-2H3,(H,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((4-PYRIDINYLMETHYL)THIO)-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
NSC-98000
Code English
THEOPHYLLINE, 8-(4-PYRIDYLMETHYL)THIO-6-THIO-
Systematic Name English
THEOPHYLLINE, 8-((4-PYRIDYLMETHYL)THIO)-6-THIO-
Systematic Name English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((4-PYRIDINYLMETHYL)THIO)-6-THIOXO-
Systematic Name English
Code System Code Type Description
CAS
6493-45-4
Created by admin on Sat Dec 16 12:45:58 GMT 2023 , Edited by admin on Sat Dec 16 12:45:58 GMT 2023
PRIMARY
FDA UNII
PV0B8G6H7D
Created by admin on Sat Dec 16 12:45:58 GMT 2023 , Edited by admin on Sat Dec 16 12:45:58 GMT 2023
PRIMARY
NSC
98000
Created by admin on Sat Dec 16 12:45:58 GMT 2023 , Edited by admin on Sat Dec 16 12:45:58 GMT 2023
PRIMARY
PUBCHEM
3034548
Created by admin on Sat Dec 16 12:45:58 GMT 2023 , Edited by admin on Sat Dec 16 12:45:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID50215243
Created by admin on Sat Dec 16 12:45:58 GMT 2023 , Edited by admin on Sat Dec 16 12:45:58 GMT 2023
PRIMARY
NIH
NCATS
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