9-benzyl-1-oxidopurin-1-ium-6-amine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H11N5O
Molecular Weight	241.2486
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9-benzyl-1-oxidopurin-1-ium-6-amine

Structure Search

SMILES

NC1=C2N=CN(CC3=CC=CC=C3)C2=NC=[N+]1[O-]

InChI

InChIKey=YDSQHNURKVIJFN-UHFFFAOYSA-N

InChI=1S/C12H11N5O/c13-11-10-12(15-8-17(11)18)16(7-14-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6,13H2

HIDE SMILES / InChI

Molecular Formula	C12H11N5O
Molecular Weight	241.2486
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 10:03:17 GMT 2023` Edited by `admin` on `Sat Dec 16 10:03:17 GMT 2023`
Record UNII	6JB88AC4JP
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

9-benzyl-1-oxidopurin-1-ium-6-amine

Systematic Name

English

9H-Purin-6-amine, 9-(phenylmethyl)-, 1-oxide

Systematic Name

English

9-Benzyladenine N1-oxide

Systematic Name

English

9-Benzyladenine 1-N-oxide

Systematic Name

English

9-BENZYLADENINE 1-OXIDE

Systematic Name

English

9-benzyl-1-oxy-9H-purin-6-ylamine

Systematic Name

English

Code System Code Type Description

FDA UNII

6JB88AC4JP

Created by admin on Sat Dec 16 10:03:17 GMT 2023 , Edited by admin on Sat Dec 16 10:03:17 GMT 2023

PRIMARY

CAS

4261-16-9

Created by admin on Sat Dec 16 10:03:17 GMT 2023 , Edited by admin on Sat Dec 16 10:03:17 GMT 2023

PRIMARY

EPA CompTox

DTXSID30962607

Created by admin on Sat Dec 16 10:03:17 GMT 2023 , Edited by admin on Sat Dec 16 10:03:17 GMT 2023

PRIMARY

Related Record Type Details


					X8AFH3BV5P

9-benzyl-1-oxidopurin-1-ium-6-amine hydrobromide

SALT/SOLVATE -> PARENT

Amount: