For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Methyl-3-phenyl-2-phenylmethylamino-6-(1H-1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID DIhjVZf4rDu
InChI InChI=1S/C22H18N6OS/c1-15-18-19(30-21(15)27-14-23-13-25-27)26-22(24-12-16-8-4-2-5-9-16)28(20(18)29)17-10-6-3-7-11-17/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKey QMVABTBLMCEKMH-UHFFFAOYSA-N
Mol Weight 414.49 g/mol
Molecular Formula C22H18N6OS
Exact Mass 414.12628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FBjHDHgeOaI
Name 5-Methyl-3-phenyl-2-phenylmethylamino-6-(1H-1,2,4-triazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18N6OS
InChI InChI=1S/C22H18N6OS/c1-15-18-19(30-21(15)27-14-23-13-25-27)26-22(24-12-16-8-4-2-5-9-16)28(20(18)29)17-10-6-3-7-11-17/h2-11,13-14H,12H2,1H3,(H,24,26)
InChIKey QMVABTBLMCEKMH-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.711
Molecular Weight 414.487 g/mol
SMILES N(C1=Nc2sc(c(C)c2C(N1c1ccccc1)=O)-[n]1ncnc1)Cc1ccccc1
SPLASH splash10-03di-0601900000-1bb26a6ba47513a99d3a
Source of Spectrum ARK-2009-116-6j
Wiley ID 1866661