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2,3-Dimethyl-7-nitro-9-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID JcwN9u2nfNg
InChI InChI=1S/C18H13N3O3S2/c1-10-19-16-15-13(25-12-6-4-3-5-7-12)8-11(21(23)24)9-14(15)26-17(16)18(22)20(10)2/h3-9H,1-2H3
InChIKey OTOXJWWNNLALRG-UHFFFAOYSA-N
Mol Weight 383.44 g/mol
Molecular Formula C18H13N3O3S2
Exact Mass 383.039834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2nFNxeu0U7
Name 2,3-Dimethyl-7-nitro-9-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Alternate Name(s) 2,3-Dimethyl-7-nitro-9-(phenylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one 2,3-Dimethyl-7-nitro-9-(phenylthio)benzothiopheno[3,2-d]pyrimidin-4-one 2,3-Dimethyl-7-nitro-9-phenylsulfanyl-benzothiopheno[3,2-d]pyrimidin-4-one 2,3-Dimethyl-7-nitro-9-phenylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one
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Formula C18H13N3O3S2
InChI InChI=1S/C18H13N3O3S2/c1-10-19-16-15-13(25-12-6-4-3-5-7-12)8-11(21(23)24)9-14(15)26-17(16)18(22)20(10)2/h3-9H,1-2H3
InChIKey OTOXJWWNNLALRG-UHFFFAOYSA-N
Molecular Weight 383.440 g/mol
SMILES c12c(N=C(N(C2=O)C)C)c2c(cc(N(=O)=O)cc2s1)Sc1ccccc1
SPLASH splash10-0a4i-9312000000-833a8aa817dbc0d5c3cf
Wiley ID 1452441