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

Systemtic Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-9-(3-phenylpropyl)purin-6-amine Openeye Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-9-(3-phenylpropyl)purin-6-amine CAS Name: 8-(1,3-benzodioxol-5-ylthio)-9-(3-phenylpropyl)-6-purinamine IUPAC Name: 8-(1,3-benzodioxol-5-ylsulfanyl)-9-(3-phenylpropyl)purin-6-amine Traditional Name: [8-(1,3-benzodioxol-5-ylthio)-9-(3-phenylpropyl)purin-6-yl]amine Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)SC3=NC4=C(N3CCCC5=CC=CC=C5)N=CN=C4N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)SC3=NC4=C(N3CCCC5=CC=CC=C5)N=CN=C4N

InChI

InChI=1S/C21H19N5O2S/c22-19-18-20(24-12-23-19)26(10-4-7-14-5-2-1-3-6-14)21(25-18)29-15-8-9-16-17(11-15)28-13-27-16/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H2,22,23,24)