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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N4S3
Molecular Weight 272.413
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(ETHYLTHIO)-1,3-DIMETHYL-3,9-DIHYDRO-1H-PURINE-2,6-DITHIONE

SMILES

CCSC1=NC2=C(N1)N(C)C(=S)N(C)C2=S

InChI

InChIKey=XMSUVOUHJAKHHK-UHFFFAOYSA-N
InChI=1S/C9H12N4S3/c1-4-16-8-10-5-6(11-8)12(2)9(15)13(3)7(5)14/h4H2,1-3H3,(H,10,11)

HIDE SMILES / InChI

Approval Year

Name Type Language
8-(ETHYLTHIO)-1,3-DIMETHYL-3,9-DIHYDRO-1H-PURINE-2,6-DITHIONE
Systematic Name English
8-(ETHYLTHIO)-3,9-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DITHIONE
Systematic Name English
THEOPHYLLINE, 8-(ETHYLTHIO)DITHIO-
Systematic Name English
NSC-95866
Code English
1H-PURINE-2,6-DITHIONE, 8-(ETHYLTHIO)-3,9-DIHYDRO-1,3-DIMETHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30215387
Created by admin on Sat Dec 16 12:41:10 GMT 2023 , Edited by admin on Sat Dec 16 12:41:10 GMT 2023
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NSC
95866
Created by admin on Sat Dec 16 12:41:10 GMT 2023 , Edited by admin on Sat Dec 16 12:41:10 GMT 2023
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PUBCHEM
3003820
Created by admin on Sat Dec 16 12:41:10 GMT 2023 , Edited by admin on Sat Dec 16 12:41:10 GMT 2023
PRIMARY
FDA UNII
2O2EG1ML3X
Created by admin on Sat Dec 16 12:41:10 GMT 2023 , Edited by admin on Sat Dec 16 12:41:10 GMT 2023
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CAS
6508-29-8
Created by admin on Sat Dec 16 12:41:10 GMT 2023 , Edited by admin on Sat Dec 16 12:41:10 GMT 2023
PRIMARY