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2-[5-(3,5-dichlorophenyl)-2-furanyl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

View entire compound with spectra: 1 MS (GC)

2-[5-(3,5-dichlorophenyl)-2-furanyl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 4nNQGD31F0y
InChI InChI=1S/C20H16Cl2N2O2S/c21-11-7-10(8-12(22)9-11)14-5-6-15(26-14)18-23-19(25)17-13-3-1-2-4-16(13)27-20(17)24-18/h5-9,18,24H,1-4H2,(H,23,25)
InChIKey CKHXPILHGAGHNI-UHFFFAOYSA-N
Mol Weight 419.33 g/mol
Molecular Formula C20H16Cl2N2O2S
Exact Mass 418.030954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1G9KJh2beJ
Name 2-[5-(3,5-dichlorophenyl)-2-furanyl]-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 C20H16Cl2N2O2S
InChI InChI=1S/C20H16Cl2N2O2S/c21-11-7-10(8-12(22)9-11)14-5-6-15(26-14)18-23-19(25)17-13-3-1-2-4-16(13)27-20(17)24-18/h5-9,18,24H,1-4H2,(H,23,25)
InChIKey CKHXPILHGAGHNI-UHFFFAOYSA-N
Molecular Weight 419.326 g/mol
SMILES N1c2c(C(NC1c1oc(cc1)-c1cc(cc(c1)Cl)Cl)=O)c1CCCCc1s2
SPLASH splash10-004i-4980100000-002cc78e33f871a5b777
Synonyms 2-[5-(3,5-dichlorophenyl)-2-furyl]-2,3,5,6,7,8-hexahydro-1H-benzothiopheno[2,3-d]pyrimidin-4-one 2-[5-(3,5-dichlorophenyl)furan-2-yl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one 2-[5-[3,5-bis(chloranyl)phenyl]furan-2-yl]-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Wiley ID 1460560