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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H14N4O2
Molecular Weight	222.2438
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-METHYL-7-(2-METHYLPROPYL)-3H-PURINE-2,6-DIONE

Structure Search

SMILES

CC(C)CN1C=NC2=C1C(=O)N(C)C(=O)N2

InChI

InChIKey=VCBURIAVUSLZHM-UHFFFAOYSA-N

InChI=1S/C10H14N4O2/c1-6(2)4-14-5-11-8-7(14)9(15)13(3)10(16)12-8/h5-6H,4H2,1-3H3,(H,12,16)

HIDE SMILES / InChI

Molecular Formula	C10H14N4O2
Molecular Weight	222.2438
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 16:54:40 GMT 2023` Edited by `admin` on `Sat Dec 16 16:54:40 GMT 2023`
Record UNII	EB990BV62L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

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

Systematic Name

English

ISBUFYLLINE METABOLITE III

Common Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40160117

Created by admin on Sat Dec 16 16:54:40 GMT 2023 , Edited by admin on Sat Dec 16 16:54:40 GMT 2023

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CAS

137235-84-8

Created by admin on Sat Dec 16 16:54:40 GMT 2023 , Edited by admin on Sat Dec 16 16:54:40 GMT 2023

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FDA UNII

EB990BV62L

Created by admin on Sat Dec 16 16:54:40 GMT 2023 , Edited by admin on Sat Dec 16 16:54:40 GMT 2023

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PUBCHEM

3071494

Created by admin on Sat Dec 16 16:54:40 GMT 2023 , Edited by admin on Sat Dec 16 16:54:40 GMT 2023

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Related Record Type Details


					9C8Z5F38D0

ISBUFYLLINE

PARENT -> METABOLITE

Qualification:

PLASMA