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Details

Stereochemistry ACHIRAL
Molecular Formula C17H20N8O2S2
Molecular Weight 432.523
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8,8'-TRIMETHYLENEBIS(2-THIO-THEOPHYLLINE

SMILES

CN1C2=C(N=C(CCCC3=NC4=C(N3)N(C)C(=S)N(C)C4=O)N2)C(=O)N(C)C1=S

InChI

InChIKey=CKNRZZMPKSYJCP-UHFFFAOYSA-N
InChI=1S/C17H20N8O2S2/c1-22-12-10(14(26)24(3)16(22)28)18-8(20-12)6-5-7-9-19-11-13(21-9)23(2)17(29)25(4)15(11)27/h5-7H2,1-4H3,(H,18,20)(H,19,21)

HIDE SMILES / InChI

Approval Year

Name Type Language
8,8'-TRIMETHYLENEBIS(2-THIO-THEOPHYLLINE
Systematic Name English
THEOPHYLLINE, 8,8'-TRIMETHYLENEBIS(2-THIO-
Systematic Name English
NSC-95921
Code English
Code System Code Type Description
CAS
6466-29-1
Created by admin on Sat Dec 16 12:36:28 GMT 2023 , Edited by admin on Sat Dec 16 12:36:28 GMT 2023
PRIMARY
PUBCHEM
96991
Created by admin on Sat Dec 16 12:36:28 GMT 2023 , Edited by admin on Sat Dec 16 12:36:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID50214933
Created by admin on Sat Dec 16 12:36:28 GMT 2023 , Edited by admin on Sat Dec 16 12:36:28 GMT 2023
PRIMARY
NSC
95921
Created by admin on Sat Dec 16 12:36:28 GMT 2023 , Edited by admin on Sat Dec 16 12:36:28 GMT 2023
PRIMARY
FDA UNII
C3VVU6VH6N
Created by admin on Sat Dec 16 12:36:28 GMT 2023 , Edited by admin on Sat Dec 16 12:36:28 GMT 2023
PRIMARY