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

Systemtic Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-phenyl-purine Openeye Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-phenyl-purine CAS Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-phenylpurine IUPAC Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-phenylpurine Traditional Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-phenyl-purine Formula: C20H16N4O2 MolecularWeight: 344.36664

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2O1)N3C=NC4=C(N=CN=C43)C5=CC=CC=C5

Isomeric SMILES

C1C(OCC2=CC=CC=C2O1)N3C=NC4=C(N=CN=C43)C5=CC=CC=C5

InChI

InChI=1S/C20H16N4O2/c1-2-6-14(7-3-1)18-19-20(22-12-21-18)24(13-23-19)17-11-25-16-9-5-4-8-15(16)10-26-17/h1-9,12-13,17H,10-11H2