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Details

Stereochemistry ACHIRAL
Molecular Formula C12H18N4OS2
Molecular Weight 298.428
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-(PENTYLTHIO)-2-THIOXO-6H-PURIN-6-ONE

SMILES

CCCCCSC1=NC2=C(N1)N(C)C(=S)N(C)C2=O

InChI

InChIKey=AYOOHXCZCYWXBB-UHFFFAOYSA-N
InChI=1S/C12H18N4OS2/c1-4-5-6-7-19-11-13-8-9(14-11)15(2)12(18)16(3)10(8)17/h4-7H2,1-3H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C12H18N4OS2
Molecular Weight 298.428
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 12:52:44 GMT 2023
Edited
by admin
on Sat Dec 16 12:52:44 GMT 2023
Record UNII
16PCK5PX5O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-8-(PENTYLTHIO)-2-THIOXO-6H-PURIN-6-ONE
Systematic Name English
NSC-95892
Code English
THEOPHYLLINE, 8-PENTYLTHIO-2-THIO-
Systematic Name English
6H-PURIN-6-ONE, 1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-8-(PENTYLTHIO)-2-THIOXO-
Systematic Name English
THEOPHYLLINE, 8-(PENTYLTHIO)-2-THIO-
Systematic Name English
Code System Code Type Description
NSC
95892
Created by admin on Sat Dec 16 12:52:44 GMT 2023 , Edited by admin on Sat Dec 16 12:52:44 GMT 2023
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CAS
4869-70-9
Created by admin on Sat Dec 16 12:52:44 GMT 2023 , Edited by admin on Sat Dec 16 12:52:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID40197584
Created by admin on Sat Dec 16 12:52:44 GMT 2023 , Edited by admin on Sat Dec 16 12:52:44 GMT 2023
PRIMARY
FDA UNII
16PCK5PX5O
Created by admin on Sat Dec 16 12:52:44 GMT 2023 , Edited by admin on Sat Dec 16 12:52:44 GMT 2023
PRIMARY
PUBCHEM
96978
Created by admin on Sat Dec 16 12:52:44 GMT 2023 , Edited by admin on Sat Dec 16 12:52:44 GMT 2023
PRIMARY