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

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C13H13N5OS2
Molecular Weight 319.405
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:00:18 GMT 2023
Edited
by admin
on Sat Dec 16 13:00:18 GMT 2023
Record UNII
17IL69JG0P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((3-PYRIDINYLMETHYL)THIO)-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
THEOPHYLLINE, 8-(3-PYRIDYLMETHYL)THIO-6-THIO-
Systematic Name English
THEOPHYLLINE, 8-((3-PYRIDYLMETHYL)THIO)-6-THIO-
Systematic Name English
NSC-97999
Code English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((3-PYRIDINYLMETHYL)THIO)-6-THIOXO-
Systematic Name English
2H-PURIN-2-ONE, 1,3,6,7-TETRAHYDRO-1,3-DIMETHYL-8-((3-PYRIDINYLMETHYL)THIO)-6-THIOXO-
Systematic Name English
Code System Code Type Description
PUBCHEM
3034547
Created by admin on Sat Dec 16 13:00:18 GMT 2023 , Edited by admin on Sat Dec 16 13:00:18 GMT 2023
PRIMARY
NSC
97999
Created by admin on Sat Dec 16 13:00:18 GMT 2023 , Edited by admin on Sat Dec 16 13:00:18 GMT 2023
PRIMARY
CAS
6493-44-3
Created by admin on Sat Dec 16 13:00:18 GMT 2023 , Edited by admin on Sat Dec 16 13:00:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID90215242
Created by admin on Sat Dec 16 13:00:18 GMT 2023 , Edited by admin on Sat Dec 16 13:00:18 GMT 2023
PRIMARY
FDA UNII
17IL69JG0P
Created by admin on Sat Dec 16 13:00:18 GMT 2023 , Edited by admin on Sat Dec 16 13:00:18 GMT 2023
PRIMARY