U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H16N8O2S2
Molecular Weight 404.47
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CN1C2=C(N=C(CC3=NC4=C(N3)N(C)C(=S)N(C)C4=O)N2)C(=O)N(C)C1=S

InChI

InChIKey=QIRUGLODEIPRED-UHFFFAOYSA-N
InChI=1S/C15H16N8O2S2/c1-20-10-8(12(24)22(3)14(20)26)16-6(18-10)5-7-17-9-11(19-7)21(2)15(27)23(4)13(9)25/h5H2,1-4H3,(H,16,18)(H,17,19)

HIDE SMILES / InChI

Approval Year

Name Type Language
8,8'-METHYLENEBIS(2-THIO-THEOPHYLLINE
Systematic Name English
THEOPHYLLINE, 8,8'-METHYLENEBIS(2-THIO-
Systematic Name English
NSC-95911
Code English
Code System Code Type Description
CAS
1915-58-8
Created by admin on Sat Dec 16 12:54:21 GMT 2023 , Edited by admin on Sat Dec 16 12:54:21 GMT 2023
PRIMARY
PUBCHEM
96985
Created by admin on Sat Dec 16 12:54:21 GMT 2023 , Edited by admin on Sat Dec 16 12:54:21 GMT 2023
PRIMARY
NSC
95911
Created by admin on Sat Dec 16 12:54:21 GMT 2023 , Edited by admin on Sat Dec 16 12:54:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID60172671
Created by admin on Sat Dec 16 12:54:21 GMT 2023 , Edited by admin on Sat Dec 16 12:54:21 GMT 2023
PRIMARY
FDA UNII
4FSN526LYU
Created by admin on Sat Dec 16 12:54:21 GMT 2023 , Edited by admin on Sat Dec 16 12:54:21 GMT 2023
PRIMARY