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

*Links on SpectraBase are not permalinks.
4-[4-Chlorophenyl]-3-phenyl-7-thioxo-1,4,6,7,8,9-hexahydro-5H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5-one
SpectraBase Compound ID HG0JIVUvRil
InChI InChI=1S/C20H14ClN5OS/c21-12-8-6-10(7-9-12)13-14-16(11-4-2-1-3-5-11)25-26-18(14)22-17-15(13)19(27)24-20(28)23-17/h1-9,13H,(H4,22,23,24,25,26,27,28)
InChIKey IRVSHDPIFFSOIS-UHFFFAOYSA-N
Mol Weight 407.88 g/mol
Molecular Formula C20H14ClN5OS
Exact Mass 407.060759 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 GGNg2UHdXVq
Name 4-[4-Chlorophenyl]-3-phenyl-7-thioxo-1,4,6,7,8,9-hexahydro-5H-pyrazolo[4',3':5,6]pyrido[2,3-d]pyrimidine-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14ClN5OS
InChI InChI=1S/C20H14ClN5OS/c21-12-8-6-10(7-9-12)13-14-16(11-4-2-1-3-5-11)25-26-18(14)22-17-15(13)19(27)24-20(28)23-17/h1-9,13H,(H4,22,23,24,25,26,27,28)
InChIKey IRVSHDPIFFSOIS-UHFFFAOYSA-N
Molecular Weight 407.879 g/mol
SMILES N1C2=C(C(NC(=S)N2)=O)C(c2c1[nH]nc2-c1ccccc1)c1ccc(cc1)Cl
SPLASH splash10-0002-0090400000-7124b899aba186dd0096
Source of Spectrum F4-41-1382-5i
Wiley ID 1672056