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Details

Stereochemistry ACHIRAL
Molecular Formula C18H30N4OS2
Molecular Weight 382.587
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-THIO-8-UNDECYLTHIOTHEOPHYLLINE

SMILES

CCCCCCCCCCCSC1=NC2=C(N1)N(C)C(=O)N(C)C2=S

InChI

InChIKey=ZCFWGKWIMXVJBC-UHFFFAOYSA-N
InChI=1S/C18H30N4OS2/c1-4-5-6-7-8-9-10-11-12-13-25-17-19-14-15(20-17)21(2)18(23)22(3)16(14)24/h4-13H2,1-3H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C18H30N4OS2
Molecular Weight 382.587
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:42:50 GMT 2023
Edited
by admin
on Sat Dec 16 12:42:50 GMT 2023
Record UNII
Y307I977AN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-THIO-8-UNDECYLTHIOTHEOPHYLLINE
Systematic Name English
6-THIO-8-(UNDECYLTHIO)THEOPHYLLINE
Systematic Name English
NSC-95927
Code English
2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-6-THIOXO-8-(UNDECYLTHIO)-
Systematic Name English
THEOPHYLLINE, 6-THIO-8-UNDECYLTHIO-
Systematic Name English
Code System Code Type Description
PUBCHEM
3034540
Created by admin on Sat Dec 16 12:42:50 GMT 2023 , Edited by admin on Sat Dec 16 12:42:50 GMT 2023
PRIMARY
CAS
6493-36-3
Created by admin on Sat Dec 16 12:42:50 GMT 2023 , Edited by admin on Sat Dec 16 12:42:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID80215236
Created by admin on Sat Dec 16 12:42:50 GMT 2023 , Edited by admin on Sat Dec 16 12:42:50 GMT 2023
PRIMARY
FDA UNII
Y307I977AN
Created by admin on Sat Dec 16 12:42:50 GMT 2023 , Edited by admin on Sat Dec 16 12:42:50 GMT 2023
PRIMARY
NSC
95927
Created by admin on Sat Dec 16 12:42:50 GMT 2023 , Edited by admin on Sat Dec 16 12:42:50 GMT 2023
PRIMARY