3,7-DIHYDRO-7-(2-HYDROXY-2-METHYLPROPYL)-1,3-DIMETHYL-1H-PURINE-2,6-DIONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H16N4O3
Molecular Weight	252.2697
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,7-DIHYDRO-7-(2-HYDROXY-2-METHYLPROPYL)-1,3-DIMETHYL-1H-PURINE-2,6-DIONE

Structure Search

SMILES

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

InChI

InChIKey=WIZRYWWFTQBUAD-UHFFFAOYSA-N

InChI=1S/C11H16N4O3/c1-11(2,18)5-15-6-12-8-7(15)9(16)14(4)10(17)13(8)3/h6,18H,5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C11H16N4O3
Molecular Weight	252.2697
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 `Wed Apr 02 07:24:11 GMT 2025` Edited by `admin` on `Wed Apr 02 07:24:11 GMT 2025`
Record UNII	68PV1AP84A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISBUFYLLINE METABOLITE II

Preferred Name

English

3,7-DIHYDRO-7-(2-HYDROXY-2-METHYLPROPYL)-1,3-DIMETHYL-1H-PURINE-2,6-DIONE

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-(2-HYDROXY-2-METHYLPROPYL)-1,3-DIMETHYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

218659

Created by admin on Wed Apr 02 07:24:11 GMT 2025 , Edited by admin on Wed Apr 02 07:24:11 GMT 2025

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FDA UNII

68PV1AP84A

Created by admin on Wed Apr 02 07:24:11 GMT 2025 , Edited by admin on Wed Apr 02 07:24:11 GMT 2025

PRIMARY

EPA CompTox

DTXSID70194001

Created by admin on Wed Apr 02 07:24:11 GMT 2025 , Edited by admin on Wed Apr 02 07:24:11 GMT 2025

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CAS

41011-04-5

Created by admin on Wed Apr 02 07:24:11 GMT 2025 , Edited by admin on Wed Apr 02 07:24:11 GMT 2025

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Related Record Type Details


					9C8Z5F38D0

ISBUFYLLINE

PARENT -> METABOLITE

Qualification:

PLASMA