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5-(4-Methoxyphenyl)-2,5,6,7,8-pentahydrobenzo[6,7]cyclohepta [1,2-d]thiazolo[3,2-a]pyrimidine-3-one
SpectraBase Compound ID KQLXjEWPg0h
InChI InChI=1S/C22H20N2O2S/c1-26-16-11-9-15(10-12-16)21-18-8-4-6-14-5-2-3-7-17(14)20(18)23-22-24(21)19(25)13-27-22/h2-3,5,7,9-12,21H,4,6,8,13H2,1H3
InChIKey NVBBGFQLXWPJNQ-UHFFFAOYSA-N
Mol Weight 376.47 g/mol
Molecular Formula C22H20N2O2S
Exact Mass 376.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VZVb3TfH59
Name 5-(4-Methoxyphenyl)-2,5,6,7,8-pentahydrobenzo[6,7]cyclohepta [1,2-d]thiazolo[3,2-a]pyrimidine-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O2S
InChI InChI=1S/C22H20N2O2S/c1-26-16-11-9-15(10-12-16)21-18-8-4-6-14-5-2-3-7-17(14)20(18)23-22-24(21)19(25)13-27-22/h2-3,5,7,9-12,21H,4,6,8,13H2,1H3
InChIKey NVBBGFQLXWPJNQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100212
Molecular Weight 376.474 g/mol
SMILES C1(N2C(=NC=3c4c(cccc4)CCCC13)SCC2=O)c1ccc(cc1)OC
SPLASH splash10-001i-3309000000-ee5995bf0e1cf7e7f394
Source of Spectrum APC-345-121-13
Synonyms 8-(4-Methoxyphenyl)-6,7,8,11-tetrahydrobenzo[6,7]cyclohepta[1,2-d]thiazolo[3,2-a]pyrimidin-10(5H)-one
Wiley ID 1769298