8-(2-CYCLOPENTYLETHYL)THEOPHYLLINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H20N4O2
Molecular Weight	276.3342
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-(2-CYCLOPENTYLETHYL)THEOPHYLLINE

Structure Search

SMILES

CN1C2=C(N=C(CCC3CCCC3)N2)C(=O)N(C)C1=O

InChI

InChIKey=UJPJSYWSTXMOQB-UHFFFAOYSA-N

InChI=1S/C14H20N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-7-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula	C14H20N4O2
Molecular Weight	276.3342
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 `Sat Dec 16 12:41:49 GMT 2023` Edited by `admin` on `Sat Dec 16 12:41:49 GMT 2023`
Record UNII	VF2P05B42N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8-(2-CYCLOPENTYLETHYL)THEOPHYLLINE

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

NSC-101805

Code

English

Code System Code Type Description

PUBCHEM

97137

Created by admin on Sat Dec 16 12:41:49 GMT 2023 , Edited by admin on Sat Dec 16 12:41:49 GMT 2023

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EPA CompTox

DTXSID70224938

Created by admin on Sat Dec 16 12:41:49 GMT 2023 , Edited by admin on Sat Dec 16 12:41:49 GMT 2023

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NSC

101805

Created by admin on Sat Dec 16 12:41:49 GMT 2023 , Edited by admin on Sat Dec 16 12:41:49 GMT 2023

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CAS

74039-71-7

Created by admin on Sat Dec 16 12:41:49 GMT 2023 , Edited by admin on Sat Dec 16 12:41:49 GMT 2023

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FDA UNII

VF2P05B42N

Created by admin on Sat Dec 16 12:41:49 GMT 2023 , Edited by admin on Sat Dec 16 12:41:49 GMT 2023

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