8-(1,3-benzodioxol-5-ylsulfanyl)-9-phenethyl-purin-6-amine

Systemtic Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-9-phenethyl-purin-6-amine Openeye Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-9-phenethyl-purin-6-amine CAS Name: 8-(1,3-benzodioxol-5-ylthio)-9-phenethyl-6-purinamine IUPAC Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-9-phenethylpurin-6-amine Traditional Name: [8-(1,3-benzodioxol-5-ylthio)-9-phenethyl-purin-6-yl]amine Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)SC3=NC4=C(N3CCC5=CC=CC=C5)N=CN=C4N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)SC3=NC4=C(N3CCC5=CC=CC=C5)N=CN=C4N

InChI

InChI=1S/C20H17N5O2S/c21-18-17-19(23-11-22-18)25(9-8-13-4-2-1-3-5-13)20(24-17)28-14-6-7-15-16(10-14)27-12-26-15/h1-7,10-11H,8-9,12H2,(H2,21,22,23)