7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-phenylsulfanyl-purine

Systemtic Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-phenylsulfanyl-purine Openeye Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-phenylsulfanyl-purine CAS Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(phenylthio)purine IUPAC Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-phenylsulfanylpurine Traditional Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(phenylthio)purine Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2O1)N3C=NC4=C3C(=NC=N4)SC5=CC=CC=C5

Isomeric SMILES

C1C(OCC2=CC=CC=C2O1)N3C=NC4=C3C(=NC=N4)SC5=CC=CC=C5

InChI

InChI=1S/C20H16N4O2S/c1-2-7-15(8-3-1)27-20-18-19(21-12-22-20)23-13-24(18)17-11-25-16-9-5-4-6-14(16)10-26-17/h1-9,12-13,17H,10-11H2