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4-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]pyrimidin-2-amine
SpectraBase Compound ID 6KwlfY3j4uy
InChI InChI=1S/C19H15BrN4O2S/c1-12-2-5-14(6-3-12)27(25,26)24-11-16(17-8-9-22-19(21)23-17)15-7-4-13(20)10-18(15)24/h2-11H,1H3,(H2,21,22,23)
InChIKey ZRTSOUNTKPIZMQ-UHFFFAOYSA-N
Mol Weight 443.32 g/mol
Molecular Formula C19H15BrN4O2S
Exact Mass 442.00991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22NBInvc2Sc
Name 4-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]pyrimidin-2-amine
Alternate Name(s) 4-[6-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-pyrimidinamine 4-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-2-amine 4-[6-bromo-1-(p-tolylsulfonyl)indol-3-yl]pyrimidin-2-amine [4-(6-bromo-1-tosyl-indol-3-yl)pyrimidin-2-yl]amine
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Formula C19H15BrN4O2S
InChI InChI=1S/C19H15BrN4O2S/c1-12-2-5-14(6-3-12)27(25,26)24-11-16(17-8-9-22-19(21)23-17)15-7-4-13(20)10-18(15)24/h2-11H,1H3,(H2,21,22,23)
InChIKey ZRTSOUNTKPIZMQ-UHFFFAOYSA-N
Molecular Weight 443.319 g/mol
SMILES Nc1nc(-c2c[n](S(c3ccc(cc3)C)(=O)=O)c3c2ccc(c3)Br)ccn1
SPLASH splash10-000f-4090500000-976e7e4e40ea1c5952dc
Source of Spectrum H1-53-1496-16
Wiley ID 817923