8-(1-CYCLOHEXEN-1-YLMETHYL)-THEOPHYLLINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H18N4O2
Molecular Weight	274.3183
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(1-CYCLOHEXEN-1-YLMETHYL)-THEOPHYLLINE

Structure Search

SMILES

CN1C2=C(N=C(CC3=CCCCC3)N2)C(=O)N(C)C1=O

InChI

InChIKey=VVXQBRAMOXSDLG-UHFFFAOYSA-N

InChI=1S/C14H18N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h6H,3-5,7-8H2,1-2H3,(H,15,16)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

8-(1-CYCLOHEXEN-1-YLMETHYL)-THEOPHYLLINE

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

NSC-106216

Code

English

Code System Code Type Description

CAS

74039-69-3

Created by admin on Sat Dec 16 12:39:57 GMT 2023 , Edited by admin on Sat Dec 16 12:39:57 GMT 2023

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FDA UNII

CFO172OCE3

Created by admin on Sat Dec 16 12:39:57 GMT 2023 , Edited by admin on Sat Dec 16 12:39:57 GMT 2023

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EPA CompTox

DTXSID50224936

Created by admin on Sat Dec 16 12:39:57 GMT 2023 , Edited by admin on Sat Dec 16 12:39:57 GMT 2023

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NSC

106216

Created by admin on Sat Dec 16 12:39:57 GMT 2023 , Edited by admin on Sat Dec 16 12:39:57 GMT 2023

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PUBCHEM

97208

Created by admin on Sat Dec 16 12:39:57 GMT 2023 , Edited by admin on Sat Dec 16 12:39:57 GMT 2023

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SUBSTANCE RECORD


					CFO172OCE3

8-(1-CYCLOHEXEN-1-YLMETHYL)-THEOPHYLLINE