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2-(3-Methoxy-4-oxidanyl-phenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SpectraBase Compound ID GGJWrQMqCdZ
InChI InChI=1S/C18H20N2O3S/c1-9-3-5-11-14(7-9)24-18-15(11)17(22)19-16(20-18)10-4-6-12(21)13(8-10)23-2/h4,6,8-9,16,20-21H,3,5,7H2,1-2H3,(H,19,22)
InChIKey DLBYJCYBQKKNNI-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C18H20N2O3S
Exact Mass 344.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJbLqqQZsVV
Name 2-(3-Methoxy-4-oxidanyl-phenyl)-7-methyl-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 C18H20N2O3S
InChI InChI=1S/C18H20N2O3S/c1-9-3-5-11-14(7-9)24-18-15(11)17(22)19-16(20-18)10-4-6-12(21)13(8-10)23-2/h4,6,8-9,16,20-21H,3,5,7H2,1-2H3,(H,19,22)
InChIKey DLBYJCYBQKKNNI-UHFFFAOYSA-N
Molecular Weight 344.429 g/mol
SMILES N1c2c(C(NC1c1cc(c(cc1)O)OC)=O)c1CCC(Cc1s2)C
SPLASH splash10-0f96-4923000000-b25e64567ae3d358ef67
Synonyms 2-(4-hydroxy-3-methoxy-phenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one 2-(4-hydroxy-3-methoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-(4-Hydroxy-3-methoxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Wiley ID 1453581