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Details

Stereochemistry ACHIRAL
Molecular Formula C8H12N4OS2
Molecular Weight 244.337
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CGP-52608

SMILES

CNC(=S)N\N=C1\SCC(=O)N1CC=C

InChI

InChIKey=DDYJDIHOSRTMSE-DHZHZOJOSA-N
InChI=1S/C8H12N4OS2/c1-3-4-12-6(13)5-15-8(12)11-10-7(14)9-2/h3H,1,4-5H2,2H3,(H2,9,10,14)/b11-8+

HIDE SMILES / InChI

Molecular Formula C8H12N4OS2
Molecular Weight 244.337
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
QS3ABF85TR
Record Status Validated (UNII)
Record Version