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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-((2-PYRIDINYLMETHYL)THIO)-6-THIOXO-2H-PURIN-2-ONE

SMILES

CN1C2=C(N=C(N2)SCC3=CC=CC=N3)C(=S)N(C)C1=O

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-PYRIDINYLMETHYL)THIO)-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
NSC-97997
Preferred Name English
THEOPHYLLINE, 8-((2-PYRIDYLMETHYL)THIO)-6-THIO-
Systematic Name English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-PYRIDINYLMETHYL)THIO)-6-THIOXO-
Systematic Name English
THEOPHYLLINE, 8-(2-PYRIDYLMETHYL)THIO-6-THIO-
Systematic Name English
Code System Code Type Description
CAS
6493-43-2
Created by admin on Tue Apr 01 20:04:01 GMT 2025 , Edited by admin on Tue Apr 01 20:04:01 GMT 2025
PRIMARY
PUBCHEM
3034546
Created by admin on Tue Apr 01 20:04:01 GMT 2025 , Edited by admin on Tue Apr 01 20:04:01 GMT 2025
PRIMARY
NSC
97997
Created by admin on Tue Apr 01 20:04:01 GMT 2025 , Edited by admin on Tue Apr 01 20:04:01 GMT 2025
PRIMARY
FDA UNII
FL4OQ9K5XD
Created by admin on Tue Apr 01 20:04:01 GMT 2025 , Edited by admin on Tue Apr 01 20:04:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID30215241
Created by admin on Tue Apr 01 20:04:01 GMT 2025 , Edited by admin on Tue Apr 01 20:04:01 GMT 2025
PRIMARY
NIH
NCATS
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