8-HEPTYLTHIOTHEOPHYLLINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H22N4O2S
Molecular Weight	310.415
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-HEPTYLTHIOTHEOPHYLLINE

Structure Search

SMILES

CCCCCCCSC1=NC2=C(N1)C(=O)N(C)C(=O)N2C

InChI

InChIKey=FFKZSFMDWWVVHP-UHFFFAOYSA-N

InChI=1S/C14H22N4O2S/c1-4-5-6-7-8-9-21-13-15-10-11(16-13)17(2)14(20)18(3)12(10)19/h4-9H2,1-3H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula	C14H22N4O2S
Molecular Weight	310.415
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 20:02:37 GMT 2025` Edited by `admin` on `Tue Apr 01 20:02:37 GMT 2025`
Record UNII	CEZ1N89SN9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-77347

Preferred Name

English

8-HEPTYLTHIOTHEOPHYLLINE

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-(HEPTYLTHIO)-3,9-DIHYDRO-1,3-DIMETHYL-

Systematic Name

English

1H-PURINE-2,6-DIONE, 8-(HEPTYLTHIO)-3,7-DIHYDRO-1,3-DIMETHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

CEZ1N89SN9

Created by admin on Tue Apr 01 20:02:37 GMT 2025 , Edited by admin on Tue Apr 01 20:02:37 GMT 2025

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CAS

73908-75-5

Created by admin on Tue Apr 01 20:02:37 GMT 2025 , Edited by admin on Tue Apr 01 20:02:37 GMT 2025

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EPA CompTox

DTXSID40995047

Created by admin on Tue Apr 01 20:02:37 GMT 2025 , Edited by admin on Tue Apr 01 20:02:37 GMT 2025

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PUBCHEM

96515

Created by admin on Tue Apr 01 20:02:37 GMT 2025 , Edited by admin on Tue Apr 01 20:02:37 GMT 2025

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NSC

77347

Created by admin on Tue Apr 01 20:02:37 GMT 2025 , Edited by admin on Tue Apr 01 20:02:37 GMT 2025

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