8-Bromo-3-methylxanthine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H5BrN4O2
Molecular Weight	245.034
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C(NC(Br)=N2)C(=O)NC1=O

InChI

InChIKey=QTEQVEJOXGBDGI-UHFFFAOYSA-N

InChI=1S/C6H5BrN4O2/c1-11-3-2(8-5(7)9-3)4(12)10-6(11)13/h1H3,(H,8,9)(H,10,12,13)

HIDE SMILES / InChI

Molecular Formula	C6H5BrN4O2
Molecular Weight	245.034
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 20:34:29 GMT 2025` Edited by `admin` on `Wed Apr 02 20:34:29 GMT 2025`
Record UNII	EFS66989G3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Methyl-8-bromoxanthine

Preferred Name

English

8-Bromo-3-methylxanthine

Common Name

English

1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-3-methyl

Systematic Name

English

8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione

Systematic Name

English

8-Bromo-3-methyl-1H-purine-2,6(3H,7H)-dione

Systematic Name

English

8-Bromo-3-methyl-3,7-dihydropurine-2,6-dione

Systematic Name

English

Code System Code Type Description

CAS

93703-24-3

Created by admin on Wed Apr 02 20:34:29 GMT 2025 , Edited by admin on Wed Apr 02 20:34:29 GMT 2025

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PUBCHEM

1548797

Created by admin on Wed Apr 02 20:34:29 GMT 2025 , Edited by admin on Wed Apr 02 20:34:29 GMT 2025

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FDA UNII

EFS66989G3

Created by admin on Wed Apr 02 20:34:29 GMT 2025 , Edited by admin on Wed Apr 02 20:34:29 GMT 2025

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