8-(1,3-benzodioxol-5-ylsulfanyl)-9-[2-(4-fluorophenyl)ethyl]purin-6-amine

Systemtic Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-9-[2-(4-fluorophenyl)ethyl]purin-6-amine Openeye Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-9-[2-(4-fluorophenyl)ethyl]purin-6-amine CAS Name: 8-(1,3-benzodioxol-5-ylthio)-9-[2-(4-fluorophenyl)ethyl]-6-purinamine IUPAC Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-9-[2-(4-fluorophenyl)ethyl]purin-6-amine Traditional Name: [8-(1,3-benzodioxol-5-ylthio)-9-[2-(4-fluorophenyl)ethyl]purin-6-yl]amine Formula: C20H16FN5O2S MolecularWeight: 409.436743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN5O2S/c21-13-3-1-12(2-4-13)7-8-26-19-17(18(22)23-10-24-19)25-20(26)29-14-5-6-15-16(9-14)28-11-27-15/h1-6,9-10H,7-8,11H2,(H2,22,23,24)