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3-[6-(3-aminophenyl)sulfanyl-2-chloranyl-pyrimidin-4-yl]sulfanylaniline
SpectraBase Compound ID Bsnp7TgohAb
InChI InChI=1S/C16H13ClN4S2/c17-16-20-14(22-12-5-1-3-10(18)7-12)9-15(21-16)23-13-6-2-4-11(19)8-13/h1-9H,18-19H2
InChIKey OIXSDGUBAKZXNP-UHFFFAOYSA-N
Mol Weight 360.88 g/mol
Molecular Formula C16H13ClN4S2
Exact Mass 360.027016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDKm6VvgAuX
Name 3-[6-(3-aminophenyl)sulfanyl-2-chloranyl-pyrimidin-4-yl]sulfanylaniline
Alternate Name(s) 3-[6-(3-aminophenyl)sulfanyl-2-chloro-pyrimidin-4-yl]sulfanylaniline 3-[[6-[(3-aminophenyl)thio]-2-chloro-4-pyrimidinyl]thio]aniline [3-[[6-[(3-aminophenyl)thio]-2-chloro-pyrimidin-4-yl]thio]phenyl]amine
Comments Less than 3 mono-isotopic peaks
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Formula C16H13ClN4S2
InChI InChI=1S/C16H13ClN4S2/c17-16-20-14(22-12-5-1-3-10(18)7-12)9-15(21-16)23-13-6-2-4-11(19)8-13/h1-9H,18-19H2
InChIKey OIXSDGUBAKZXNP-UHFFFAOYSA-N
Molecular Weight 360.881 g/mol
SMILES Nc1cc(Sc2cc(Sc3cc(ccc3)N)nc(n2)Cl)ccc1
SPLASH splash10-03di-0009000000-02c22b33d3771337f4cb
Source of Spectrum Y-39-349-3
Wiley ID 1528395