9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(4-fluorophenyl)sulfanyl-purine

Systemtic Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(4-fluorophenyl)sulfanyl-purine Openeye Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(4-fluorophenyl)sulfanyl-purine CAS Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-[(4-fluorophenyl)thio]purine IUPAC Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(4-fluorophenyl)sulfanylpurine Traditional Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-[(4-fluorophenyl)thio]purine Formula: C20H15FN4O2S MolecularWeight: 394.422103

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2O1)N3C=NC4=C3N=CN=C4SC5=CC=C(C=C5)F

Isomeric SMILES

C1C(OCC2=CC=CC=C2O1)N3C=NC4=C3N=CN=C4SC5=CC=C(C=C5)F

InChI

InChI=1S/C20H15FN4O2S/c21-14-5-7-15(8-6-14)28-20-18-19(22-11-23-20)25(12-24-18)17-10-26-16-4-2-1-3-13(16)9-27-17/h1-8,11-12,17H,9-10H2