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2-[(Phenylsulfanyl)methyl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID GwWHXSZZjWC
InChI InChI=1S/C17H12N2O2S/c20-17-16-15(12-8-4-5-9-13(12)21-16)18-14(19-17)10-22-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19,20)
InChIKey PFQMXNNDPXEPEC-UHFFFAOYSA-N
Mol Weight 308.36 g/mol
Molecular Formula C17H12N2O2S
Exact Mass 308.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OmQ5hgJwtf
Name 2-[(Phenylsulfanyl)methyl][1]benzofuro[3,2-d]pyrimidin-4(3H)-one
CAS Registry Number 309726-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N2O2S
InChI InChI=1S/C17H12N2O2S/c20-17-16-15(12-8-4-5-9-13(12)21-16)18-14(19-17)10-22-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19,20)
InChIKey PFQMXNNDPXEPEC-UHFFFAOYSA-N
Molecular Weight 308.355 g/mol
SMILES N1C(=Nc2c(C1=O)oc1ccccc21)CSc1ccccc1
SPLASH splash10-0ab9-5923000000-bd2c4626a0806449ba57
Source of Spectrum AD-0-2532-0
Synonyms 2-(Phenylsulfanylmethyl)-1H-benzofuro[3,2-d]pyrimidin-4-one 2-(Phenylsulfanylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one 2-[(phenylthio)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one Pyrimido[5,4-b]benzofuran-4(3H)-one, 2-phenylthiomethyl-
Wiley ID 1430917