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2-(6-Nitro-1H-benzoimidazol-2-ylmethylsulfanyl)-1H-quinazolin-4-one
SpectraBase Compound ID AUtxwnKazdt
InChI InChI=1S/C16H11N5O3S/c22-15-10-3-1-2-4-11(10)19-16(20-15)25-8-14-17-12-6-5-9(21(23)24)7-13(12)18-14/h1-7H,8H2,(H,17,18)(H,19,20,22)
InChIKey MWNLBRYOHIDQKH-UHFFFAOYSA-N
Mol Weight 353.36 g/mol
Molecular Formula C16H11N5O3S
Exact Mass 353.05826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImvnFdG0Vi1
Name 2-(6-Nitro-1H-benzoimidazol-2-ylmethylsulfanyl)-1H-quinazolin-4-one
Alternate Name(s) 2-([(6-Nitro-1H-benzimidazol-2-yl)methyl]sulfanyl)-4(1H)-quinazolinone 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1H-quinazolin-4-one 2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1H-quinazolin-4-one
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Formula C16H11N5O3S
InChI InChI=1S/C16H11N5O3S/c22-15-10-3-1-2-4-11(10)19-16(20-15)25-8-14-17-12-6-5-9(21(23)24)7-13(12)18-14/h1-7H,8H2,(H,17,18)(H,19,20,22)
InChIKey MWNLBRYOHIDQKH-UHFFFAOYSA-N
Molecular Weight 353.356 g/mol
SMILES N1c2ccccc2C(N=C1SCc1nc2ccc(N(=O)=O)cc2[nH]1)=O
SPLASH splash10-00ou-5901000000-78deb7f60fe17c2072df
Wiley ID 1448047