CAS 1445-15-4 | 6H-Purin-6-one, 2-(dimethylamino)-1,9-dihydro- | CAS Number 1445-15-4

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1445-15-4 | 6H-Purin-6-one, 2-(dimethylamino)-1,9-dihydro-

CAS No: 1445-15-4 Catalog No: AG001JNM MDL No:

Product Description

Catalog Number:

AG001JNM

Chemical Name:

6H-Purin-6-one, 2-(dimethylamino)-1,9-dihydro-

CAS Number:

1445-15-4

Molecular Formula:

C7H9N5O

Molecular Weight:

179.1793

IUPAC Name:

2-(dimethylamino)-1,7-dihydropurin-6-one

InChI:

InChI=1S/C7H9N5O/c1-12(2)7-10-5-4(6(13)11-7)8-3-9-5/h3H,1-2H3,(H2,8,9,10,11,13)

InChI Key:

XMSMHKMPBNTBOD-UHFFFAOYSA-N

SMILES:

CN(c1[nH]c(=O)c2c(n1)[nH]cn2)C

NSC Number:

515541

Properties

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.081g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.183g/mol

Monoisotopic Mass:

179.081g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5

Literature

Title	Journal
Substrate tRNA recognition mechanism of a multisite-specific tRNA methyltransferase, Aquifex aeolicus Trm1, based on the X-ray crystal structure.	The Journal of biological chemistry 20111007
Aquifex aeolicus tRNA (N2,N2-guanine)-dimethyltransferase (Trm1) catalyzes transfer of methyl groups not only to guanine 26 but also to guanine 27 in tRNA.	The Journal of biological chemistry 20090731
Analysis of urinary nucleosides as potential tumor markers in human colorectal cancer by high performance liquid chromatography/electrospray ionization tandem mass spectrometry.	Clinica chimica acta; international journal of clinical chemistry 20090401
Modified nucleosides: an accurate tumour marker for clinical diagnosis of cancer, early detection and therapy control.	British journal of cancer 20060605
Identification of Aquifex aeolicus tRNA (m2(2G26) methyltransferase gene.	Nucleic acids research. Supplement (2001) 20020101