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

*Links on SpectraBase are not permalinks.
5-Butylamino-6-(4-chlorophenyl)-3-cyano-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
SpectraBase Compound ID GdxuW87CUGE
InChI InChI=1S/C23H21ClN6O/c1-3-4-13-26-23-27-20-19(14-25)28-30(18-9-5-15(2)6-10-18)21(20)22(31)29(23)17-11-7-16(24)8-12-17/h5-12H,3-4,13H2,1-2H3,(H,26,27)
InChIKey OAWATEQKMFPDHM-UHFFFAOYSA-N
Mol Weight 432.92 g/mol
Molecular Formula C23H21ClN6O
Exact Mass 432.146537 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 8QmDo9B4LZx
Name 5-Butylamino-6-(4-chlorophenyl)-3-cyano-1-p-tolyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21ClN6O
InChI InChI=1S/C23H21ClN6O/c1-3-4-13-26-23-27-20-19(14-25)28-30(18-9-5-15(2)6-10-18)21(20)22(31)29(23)17-11-7-16(24)8-12-17/h5-12H,3-4,13H2,1-2H3,(H,26,27)
InChIKey OAWATEQKMFPDHM-UHFFFAOYSA-N
Molecular Weight 432.915 g/mol
SMILES N(C=1N(C(c2c(N1)c(C#N)n[n]2-c1ccc(cc1)C)=O)c1ccc(cc1)Cl)CCCC
SPLASH splash10-003r-1004900000-876a6cd4435137bbcfe4
Source of Spectrum F-66-5117-8r
Wiley ID 1683280