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2-(4-Methoxyphenyl)-7-(2-methylbutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SpectraBase Compound ID HTqoz9RthPs
InChI InChI=1S/C22H28N2O2S/c1-5-22(2,3)14-8-11-16-17(12-14)27-21-18(16)20(25)23-19(24-21)13-6-9-15(26-4)10-7-13/h6-7,9-10,14,19,24H,5,8,11-12H2,1-4H3,(H,23,25)
InChIKey KCDHDASIRYJFQS-UHFFFAOYSA-N
Mol Weight 384.54 g/mol
Molecular Formula C22H28N2O2S
Exact Mass 384.187149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LakqqdMaf5S
Name 2-(4-Methoxyphenyl)-7-(2-methylbutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O2S
InChI InChI=1S/C22H28N2O2S/c1-5-22(2,3)14-8-11-16-17(12-14)27-21-18(16)20(25)23-19(24-21)13-6-9-15(26-4)10-7-13/h6-7,9-10,14,19,24H,5,8,11-12H2,1-4H3,(H,23,25)
InChIKey KCDHDASIRYJFQS-UHFFFAOYSA-N
Molecular Weight 384.538 g/mol
SMILES N1c2c(C(=NC1c1ccc(cc1)OC)O)c1CCC(Cc1s2)C(C)(C)CC
SPLASH splash10-00s7-4972000000-02ab073cc188da1e6463
Synonyms 7-(1,1-dimethylpropyl)-2-(4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one 7-tert-amyl-2-(4-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one
Wiley ID 1442437