8,8'-METHYLENEBIS(2-THIO-THEOPHYLLINE

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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

Structure Search

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

Molecular Formula	C15H16N8O2S2
Molecular Weight	404.47
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 `Tue Apr 01 19:56:58 GMT 2025` Edited by `admin` on `Tue Apr 01 19:56:58 GMT 2025`
Record UNII	4FSN526LYU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8,8'-METHYLENEBIS(2-THIO-THEOPHYLLINE

Systematic Name

English

NSC-95911

Preferred Name

English

THEOPHYLLINE, 8,8'-METHYLENEBIS(2-THIO-

Systematic Name

English

Code System Code Type Description

CAS

1915-58-8

Created by admin on Tue Apr 01 19:56:58 GMT 2025 , Edited by admin on Tue Apr 01 19:56:58 GMT 2025

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PUBCHEM

96985

Created by admin on Tue Apr 01 19:56:58 GMT 2025 , Edited by admin on Tue Apr 01 19:56:58 GMT 2025

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NSC

95911

Created by admin on Tue Apr 01 19:56:58 GMT 2025 , Edited by admin on Tue Apr 01 19:56:58 GMT 2025

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EPA CompTox

DTXSID60172671

Created by admin on Tue Apr 01 19:56:58 GMT 2025 , Edited by admin on Tue Apr 01 19:56:58 GMT 2025

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FDA UNII

4FSN526LYU

Created by admin on Tue Apr 01 19:56:58 GMT 2025 , Edited by admin on Tue Apr 01 19:56:58 GMT 2025

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