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9-(benzylsulfanyl)-2,3-dimethyl-7-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID AWKeESenEOk
InChI InChI=1S/C19H15N3O3S2/c1-11-20-17-16-14(26-10-12-6-4-3-5-7-12)8-13(22(24)25)9-15(16)27-18(17)19(23)21(11)2/h3-9H,10H2,1-2H3
InChIKey PQVSVTJPYIEPAH-UHFFFAOYSA-N
Mol Weight 397.47 g/mol
Molecular Formula C19H15N3O3S2
Exact Mass 397.055484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55ks6NzuYVL
Name 9-(benzylsulfanyl)-2,3-dimethyl-7-nitro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15N3O3S2
InChI InChI=1S/C19H15N3O3S2/c1-11-20-17-16-14(26-10-12-6-4-3-5-7-12)8-13(22(24)25)9-15(16)27-18(17)19(23)21(11)2/h3-9H,10H2,1-2H3
InChIKey PQVSVTJPYIEPAH-UHFFFAOYSA-N
Molecular Weight 397.467 g/mol
SMILES c12c(N=C(N(C2=O)C)C)c2c(cc(N(=O)=O)cc2s1)SCc1ccccc1
SPLASH splash10-052f-9101000000-9d67b874e169e1cc2ce2
Synonyms 2,3-Dimethyl-7-nitro-9-(phenylmethylsulfanyl)-[1]benzothiolo[3,2-d]pyrimidin-4-one 2,3-Dimethyl-7-nitro-9-(phenylmethylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one 9-(benzylthio)-2,3-dimethyl-7-nitro-benzothiopheno[3,2-d]pyrimidin-4-one 9-Benzylsulfanyl-2,3-dimethyl-7-nitro-benzothiopheno[3,2-d]pyrimidin-4-one 9-Benzylsulfanyl-2,3-dimethyl-7-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-one
Wiley ID 1464859