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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

Molecular Formula C9H12N4S3
Molecular Weight 272.413
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
2O2EG1ML3X
Record Status Validated (UNII)
Record Version