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2-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ol
SpectraBase Compound ID KJiwWJ6Q7ml
InChI InChI=1S/C16H13ClN2OS/c17-10-7-5-9(6-8-10)14-18-15(20)13-11-3-1-2-4-12(11)21-16(13)19-14/h5-8H,1-4H2,(H,18,19,20)
InChIKey JANUPDZTKCXNTJ-UHFFFAOYSA-N
Mol Weight 316.81 g/mol
Molecular Formula C16H13ClN2OS
Exact Mass 316.043712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JImruTlzg3u
Name 2-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClN2OS
InChI InChI=1S/C16H13ClN2OS/c17-10-7-5-9(6-8-10)14-18-15(20)13-11-3-1-2-4-12(11)21-16(13)19-14/h5-8H,1-4H2,(H,18,19,20)
InChIKey JANUPDZTKCXNTJ-UHFFFAOYSA-N
Molecular Weight 316.806 g/mol
SMILES Oc1c2c(nc(n1)-c1ccc(cc1)Cl)sc1CCCCc21
SPLASH splash10-014r-4759000000-363c0f7c1c91276fd059
Synonyms 2-(4-Chlorophenyl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one 2-(4-Chlorophenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-(4-Chlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Wiley ID 1454592