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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H14N4O3
Molecular Weight	238.2432
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-METHYL-1H-PURINE-2,6-DIONE

Structure Search

SMILES

CN1C(=O)NC2=C(N(CC(C)(C)O)C=N2)C1=O

InChI

InChIKey=GNWJJBIOMXOTHP-UHFFFAOYSA-N

InChI=1S/C10H14N4O3/c1-10(2,17)4-14-5-11-7-6(14)8(15)13(3)9(16)12-7/h5,17H,4H2,1-3H3,(H,12,16)

HIDE SMILES / InChI

Molecular Formula	C10H14N4O3
Molecular Weight	238.2432
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 15:46:45 GMT 2023` Edited by `admin` on `Sat Dec 16 15:46:45 GMT 2023`
Record UNII	H4WRQ30YZY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

ISBUFYLLINE METABOLITE I

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

H4WRQ30YZY

Created by admin on Sat Dec 16 15:46:45 GMT 2023 , Edited by admin on Sat Dec 16 15:46:45 GMT 2023

PRIMARY

EPA CompTox

DTXSID401156913

Created by admin on Sat Dec 16 15:46:45 GMT 2023 , Edited by admin on Sat Dec 16 15:46:45 GMT 2023

PRIMARY

PUBCHEM

19023640

Created by admin on Sat Dec 16 15:46:45 GMT 2023 , Edited by admin on Sat Dec 16 15:46:45 GMT 2023

PRIMARY

CAS

137235-83-7

Created by admin on Sat Dec 16 15:46:45 GMT 2023 , Edited by admin on Sat Dec 16 15:46:45 GMT 2023

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Related Record Type Details


					9C8Z5F38D0

ISBUFYLLINE

PARENT -> METABOLITE

Qualification:

PLASMA; URINE