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(+-)-6-Chloro-9-[(1RS,2SR,5SR)-6-thiabicyclo[3.1.0]hex-2-yl]purine
SpectraBase Compound ID IYYcqHno0He
InChI InChI=1S/C10H9ClN4S/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6-8(5)16-6/h3-6,8H,1-2H2/t5-,6-,8+/m0/s1
InChIKey AGVNMEHVDMYETC-VMHSAVOQSA-N
Mol Weight 252.72 g/mol
Molecular Formula C10H9ClN4S
Exact Mass 252.023645 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Vr4eEpWRhI
Name (+-)-6-Chloro-9-[(1RS,2SR,5SR)-6-thiabicyclo[3.1.0]hex-2-yl]purine
Alternate Name(s) 6-Chloranyl-9-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]purine 6-Chloro-9-[(1R,2S,5S)-6-thiabicyclo[3.1.0]hex-2-yl]-9H-purine 6-Chloro-9-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]purine 6-Chloranyl-9-[(1R,2S,5S)-6-thiabicyclo[3.1.0]hexan-2-yl]purine
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Formula C10H9ClN4S
InChI InChI=1S/C10H9ClN4S/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6-8(5)16-6/h3-6,8H,1-2H2/t5-,6-,8+/m0/s1
InChIKey AGVNMEHVDMYETC-VMHSAVOQSA-N
Molecular Weight 252.723 g/mol
SMILES c12[n](cnc2c(Cl)ncn1)[C@@]1([C@]2(S[C@]2(CC1)[H])[H])[H]
SPLASH splash10-0aos-4950000000-3d01ece933d1659d85b1
Source of Spectrum K1-0-4479-30
Wiley ID 1589548