Olomoucine

enlarge

Systematic / IUPAC Name: 2-{[6-(Benzylamino)-9-methyl-9H-purin-2-yl]amino}ethanol

ID: Reference1369

Other Names: 2-({9-Methyl-6-[benzylamino]purin-2-yl}amino)ethan-1-ol;
2-(Hydroxyethylamino)-6-benzylamino-9-methylpurine;
2-({9-Methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl}amino)-ethanol ;
6-Benzylamino-2-(2-hydroxyethylamino)-9-methylpurine ;
Ethanol, 2-({9-methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl}amino)-

Formula: C15H18N6O

Spectral Data

Olomoucine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/18/2016 12:10:37 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
InChI Key GTVPOLSIJWJJNY-UHFFFAOYSA-N
Canonical SMILES CN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCO
CAS 101622519
Splash
Other Names 2-({9-Methyl-6-[benzylamino]purin-2-yl}amino)ethan-1-ol;
2-(Hydroxyethylamino)-6-benzylamino-9-methylpurine;
2-({9-Methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl}amino)-ethanol ;
6-Benzylamino-2-(2-hydroxyethylamino)-9-methylpurine ;
Ethanol, 2-({9-methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl}amino)-

In Other Databases

ChemSpider 4431
HMDb HMDB35233
ChEMBL CHEMBL280074
ChemIDPlus 101622519
PubChem 4592