| SpectraBase Spectrum ID |
B67iwrNb2W5 |
| Name |
9-(phenylmethyl)-6-thiophen-2-yl-purine |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C16H12N4S - which differs from the formula reported for the mass spectrum (C19H22N4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22N4 |
| InChI |
InChI=1S/C16H12N4S/c1-2-5-12(6-3-1)9-20-11-19-15-14(13-7-4-8-21-13)17-10-18-16(15)20/h1-8,10-11H,9H2 |
| InChIKey |
PAAXDEJAQCUKRO-UHFFFAOYSA-N |
| Molecular Weight |
292.360 g/mol |
| SMILES |
C([n]1cnc2c(ncnc12)-c1cccs1)c1ccccc1 |
| SPLASH |
splash10-052f-9005000000-3ec019c21a1fbca2d110 |
| Source of Spectrum |
SO-0-1707-2 |
| Synonyms |
9-Benzyl-6-(2-thienyl)purine
9-benzyl-6-(2-thienyl)-9H-purine
9-(phenylmethyl)-6-thiophen-2-ylpurine
9-benzyl-6-thiophen-2-ylpurine |
| Wiley ID |
878585 |
