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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20N4OS2
Molecular Weight 312.454
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-(HEXYLTHIO)-2-THIO-THEOPHYLLINE

SMILES

CCCCCCSC1=NC2=C(N1)N(C)C(=S)N(C)C2=O

InChI

InChIKey=NKQXGATZTNBEET-UHFFFAOYSA-N
InChI=1S/C13H20N4OS2/c1-4-5-6-7-8-20-12-14-9-10(15-12)16(2)13(19)17(3)11(9)18/h4-8H2,1-3H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H20N4OS2
Molecular Weight 312.454
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
DU2CV9J9CT
Record Status Validated (UNII)
Record Version