8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-7H-purin-6-amine

Systemtic Name: 8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-7H-purin-6-amine Openeye Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-7H-purin-6-amine CAS Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-7H-purin-6-amine IUPAC Name: 8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-7H-purin-6-amine Traditional Name: [8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-7H-purin-6-yl]amine Formula: C12H8BrN5O2S MolecularWeight: 366.19322

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C12H8BrN5O2S/c13-5-1-6-7(20-4-19-6)2-8(5)21-12-17-9-10(14)15-3-16-11(9)18-12/h1-3H,4H2,(H3,14,15,16,17,18)