6-phenylmethoxy-9-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]purin-2-amine

Systemtic Name: 6-phenylmethoxy-9-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]purin-2-amine Openeye Name: 6-benzyloxy-9-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]purin-2-amine CAS Name: 6-phenylmethoxy-9-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]-2-purinamine IUPAC Name: 6-phenylmethoxy-9-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]purin-2-amine Traditional Name: [6-benzoxy-9-[(1S,4S,5R)-6-thiabicyclo[3.1.0]hexan-4-yl]purin-2-yl]amine Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C1N3C=NC4=C3N=C(N=C4OCC5=CC=CC=C5)N)S2

Isomeric SMILES

C1C[C@H]2[C@@H]([C@H]1N3C=NC4=C3N=C(N=C4OCC5=CC=CC=C5)N)S2

InChI

InChI=1S/C17H17N5OS/c18-17-20-15-13(16(21-17)23-8-10-4-2-1-3-5-10)19-9-22(15)11-6-7-12-14(11)24-12/h1-5,9,11-12,14H,6-8H2,(H2,18,20,21)/t11-,12-,14+/m0/s1