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

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-(PENTYLTHIO)-6-THIOXO-2H-PURIN-2-ONE
Systematic Name English
THEOPHYLLINE, 8-(PENTYLTHIO)-6-THIO-
Systematic Name English
THEOPHYLLINE, 8-PENTYLTHIO-6-THIO-
Systematic Name English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-(PENTYLTHIO)-6-THIOXO-
Systematic Name English
NSC-95891
Code English
Code System Code Type Description
NSC
95891
Created by admin on Sat Dec 16 12:40:09 GMT 2023 , Edited by admin on Sat Dec 16 12:40:09 GMT 2023
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FDA UNII
S1FA26OX2D
Created by admin on Sat Dec 16 12:40:09 GMT 2023 , Edited by admin on Sat Dec 16 12:40:09 GMT 2023
PRIMARY
PUBCHEM
3034534
Created by admin on Sat Dec 16 12:40:09 GMT 2023 , Edited by admin on Sat Dec 16 12:40:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID00197343
Created by admin on Sat Dec 16 12:40:09 GMT 2023 , Edited by admin on Sat Dec 16 12:40:09 GMT 2023
PRIMARY
CAS
4791-37-1
Created by admin on Sat Dec 16 12:40:09 GMT 2023 , Edited by admin on Sat Dec 16 12:40:09 GMT 2023
PRIMARY
NIH
NCATS
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