8,8'-ETHYLENEBIS(2-THIO-THEOPHYLLINE)

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H18N8O2S2
Molecular Weight	418.497
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8,8'-ETHYLENEBIS(2-THIO-THEOPHYLLINE)

Structure Search

SMILES

CN1C2=C(N=C(CCC3=NC4=C(N3)N(C)C(=S)N(C)C4=O)N2)C(=O)N(C)C1=S

InChI

InChIKey=VUYGRECUFBNLNE-UHFFFAOYSA-N

InChI=1S/C16H18N8O2S2/c1-21-11-9(13(25)23(3)15(21)27)17-7(19-11)5-6-8-18-10-12(20-8)22(2)16(28)24(4)14(10)26/h5-6H2,1-4H3,(H,17,19)(H,18,20)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NSC-95918

Preferred Name

English

8,8'-ETHYLENEBIS(2-THIO-THEOPHYLLINE)

Systematic Name

English

Code System Code Type Description

NSC

95918

Created by admin on Tue Apr 01 19:48:30 GMT 2025 , Edited by admin on Tue Apr 01 19:48:30 GMT 2025

PRIMARY

FDA UNII

JG6UZV5MTD

Created by admin on Tue Apr 01 19:48:30 GMT 2025 , Edited by admin on Tue Apr 01 19:48:30 GMT 2025

PRIMARY

EPA CompTox

DTXSID90170468

Created by admin on Tue Apr 01 19:48:30 GMT 2025 , Edited by admin on Tue Apr 01 19:48:30 GMT 2025

PRIMARY

CAS

1784-50-5

Created by admin on Tue Apr 01 19:48:30 GMT 2025 , Edited by admin on Tue Apr 01 19:48:30 GMT 2025

PRIMARY

PUBCHEM

96988

Created by admin on Tue Apr 01 19:48:30 GMT 2025 , Edited by admin on Tue Apr 01 19:48:30 GMT 2025

PRIMARY

SUBSTANCE RECORD


					JG6UZV5MTD

8,8'-ETHYLENEBIS(2-THIO-THEOPHYLLINE)