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2-thioxo-3,9,10,11-tetrahydro-1-phenyl-benzo[6',7']cyclohepta[1',2':4,5]pyrido[2,3-d]pyrimidin-4-one
SpectraBase Compound ID FDHx9rF5rNH
InChI InChI=1S/C22H17N3OS/c26-21-19-18-15(9-6-8-14-7-4-5-12-17(14)18)13-23-20(19)25(22(27)24-21)16-10-2-1-3-11-16/h1-5,7,10-13H,6,8-9H2,(H,24,26,27)
InChIKey NMGSDPSUDUUARC-UHFFFAOYSA-N
Mol Weight 371.46 g/mol
Molecular Formula C22H17N3OS
Exact Mass 371.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kwgvR7YoAj
Name 2-thioxo-3,9,10,11-tetrahydro-1-phenyl-benzo[6',7']cyclohepta[1',2':4,5]pyrido[2,3-d]pyrimidin-4-one
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N3OS
InChI InChI=1S/C22H17N3OS/c26-21-19-18-15(9-6-8-14-7-4-5-12-17(14)18)13-23-20(19)25(22(27)24-21)16-10-2-1-3-11-16/h1-5,7,10-13H,6,8-9H2,(H,24,26,27)
InChIKey NMGSDPSUDUUARC-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2013.06.002
Molecular Weight 371.458 g/mol
SMILES N1C(N(c2c(C1=O)c-1c(cn2)CCCc2c1cccc2)c1ccccc1)=S
SPLASH splash10-00di-1009000000-2df137dba631914eaed3
Source of Spectrum AJC-10-S1614-4
Wiley ID 1857162