3-METHYLGUANINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H7N5O
Molecular Weight	165.1527
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYLGUANINE

Structure Search

SMILES

CN1C2=C(NC=N2)C(=O)N=C1N

InChI

InChIKey=XHBSBNYEHDQRCP-UHFFFAOYSA-N

InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)

HIDE SMILES / InChI

Molecular Formula	C6H7N5O
Molecular Weight	165.1527
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 `Tue Apr 01 20:21:11 GMT 2025` Edited by `admin` on `Tue Apr 01 20:21:11 GMT 2025`
Record UNII	FEQ5689EMB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-62622

Preferred Name

English

3-METHYLGUANINE

Systematic Name

English

2-AMINO-3,9-DIHYDRO-3-METHYL-6H-PURIN-6-ONE

Systematic Name

English

6H-PURIN-6-ONE, 2-AMINO-3,9-DIHYDRO-3-METHYL-

Systematic Name

English

N3-METHYLGUANINE

Common Name

English

2-AMINO-3-METHYL-3,7-DIHYDRO-6H-PURIN-6-ONE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

220-988-9

Created by admin on Tue Apr 01 20:21:11 GMT 2025 , Edited by admin on Tue Apr 01 20:21:11 GMT 2025

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CHEBI

1604

Created by admin on Tue Apr 01 20:21:11 GMT 2025 , Edited by admin on Tue Apr 01 20:21:11 GMT 2025

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CAS

2958-98-7

Created by admin on Tue Apr 01 20:21:11 GMT 2025 , Edited by admin on Tue Apr 01 20:21:11 GMT 2025

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NSC

62622

Created by admin on Tue Apr 01 20:21:11 GMT 2025 , Edited by admin on Tue Apr 01 20:21:11 GMT 2025

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PUBCHEM

76292

Created by admin on Tue Apr 01 20:21:11 GMT 2025 , Edited by admin on Tue Apr 01 20:21:11 GMT 2025

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EPA CompTox

DTXSID90183755

Created by admin on Tue Apr 01 20:21:11 GMT 2025 , Edited by admin on Tue Apr 01 20:21:11 GMT 2025

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FDA UNII

FEQ5689EMB

Created by admin on Tue Apr 01 20:21:11 GMT 2025 , Edited by admin on Tue Apr 01 20:21:11 GMT 2025

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