8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-9-(3-bromanylpropyl)purin-6-amine

Systemtic Name: 8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-9-(3-bromanylpropyl)purin-6-amine Openeye Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-(3-bromopropyl)purin-6-amine CAS Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-(3-bromopropyl)-6-purinamine IUPAC Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9-(3-bromopropyl)purin-6-amine Traditional Name: [8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-(3-bromopropyl)purin-6-yl]amine Formula: C15H13Br2N5O2S MolecularWeight: 487.16902

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCCBr)N=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCCBr)N=CN=C4N

InChI

InChI=1S/C15H13Br2N5O2S/c16-2-1-3-22-14-12(13(18)19-6-20-14)21-15(22)25-11-5-10-9(4-8(11)17)23-7-24-10/h4-6H,1-3,7H2,(H2,18,19,20)