8-(1,3-benzodioxol-5-ylsulfanyl)-7H-purin-6-amine

Systemtic Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-7H-purin-6-amine Openeye Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-7H-purin-6-amine CAS Name: 8-(1,3-benzodioxol-5-ylthio)-7H-purin-6-amine IUPAC Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-7H-purin-6-amine Traditional Name: [8-(1,3-benzodioxol-5-ylthio)-7H-purin-6-yl]amine Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)SC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)SC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C12H9N5O2S/c13-10-9-11(15-4-14-10)17-12(16-9)20-6-1-2-7-8(3-6)19-5-18-7/h1-4H,5H2,(H3,13,14,15,16,17)