9-METHYLGUANINE

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

SMILES

CN1C=NC2=C1N=C(N)NC2=O

InChI

InChIKey=UUWJNBOCAPUTBK-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C6H7N5O
Molecular Weight	165.1527
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii.	1995 Nov 9	7503772
Overexpression of human O6-alkylguanine DNA alkyltransferase (AGT) prevents MNU induced lymphomas in heterozygous p53 deficient mice.	2001 Aug 30	11536039
Association patterns of platinated purine nucleobases in metal-modified pairs and triples.	2002 Nov 18	12425619
Selectivity of purine alkylation by a quinone methide. Kinetic or thermodynamic control?	2003 Aug 8	12895079
True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experiment.	2003 Dec 17	14664608

Showing 1 to 5 of 22 entries

Previous1 2 3 4 5Next

Patents

Substance Class	Chemical
Record UNII	397W61ZHWY
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

NSC-19065

Preferred Name

English

9-METHYLGUANINE

Systematic Name

English

2-AMINO-1,9-DIHYDRO-9-METHYL-6H-PURIN-6-ONE

Systematic Name

English

Showing 1 to 3 of 3 entries

Previous1Next

Show entries

Code System

Code

Type

Description

FDA UNII

397W61ZHWY

PRIMARY

DRUG BANK

DB02489

PRIMARY

CAS

5502-78-3

PRIMARY

MESH

C116701

PRIMARY

EPA CompTox

DTXSID5049318

PRIMARY

Showing 1 to 5 of 8 entries

Previous1 2Next