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

SMILES

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

InChI

InChIKey=JEQRSEYZISVMFU-UHFFFAOYSA-N
InChI=1S/C13H13N5OS2/c1-17-10-9(11(19)18(2)13(17)20)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
139594
Name Type Language
1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-PYRIDINYLMETHYL)THIO)-2-THIOXO-6H-PURIN-6-ONE
Systematic Name English
6H-PURIN-6-ONE, 1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-PYRIDINYLMETHYL)THIO)-2-THIOXO-
Systematic Name English
NSC-99663
Code English
THEOPHYLLINE, 8-((2-PYRIDYLMETHYL)THIO)-2-THIO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00214928
Created by admin on Sat Dec 16 12:45:40 GMT 2023 , Edited by admin on Sat Dec 16 12:45:40 GMT 2023
PRIMARY
FDA UNII
BA0N835VZI
Created by admin on Sat Dec 16 12:45:40 GMT 2023 , Edited by admin on Sat Dec 16 12:45:40 GMT 2023
PRIMARY
PUBCHEM
97098
Created by admin on Sat Dec 16 12:45:40 GMT 2023 , Edited by admin on Sat Dec 16 12:45:40 GMT 2023
PRIMARY
CAS
6466-14-4
Created by admin on Sat Dec 16 12:45:40 GMT 2023 , Edited by admin on Sat Dec 16 12:45:40 GMT 2023
PRIMARY
NSC
99663
Created by admin on Sat Dec 16 12:45:40 GMT 2023 , Edited by admin on Sat Dec 16 12:45:40 GMT 2023
PRIMARY
NIH
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