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

Systemtic Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-iodanyl-purine Openeye Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-iodo-purine CAS Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-iodopurine IUPAC Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-iodopurine Traditional Name: 9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-iodo-purine Formula: C14H11IN4O2 MolecularWeight: 394.16721

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2O1)N3C=NC4=C3N=CN=C4I

Isomeric SMILES

C1C(OCC2=CC=CC=C2O1)N3C=NC4=C3N=CN=C4I

InChI

InChI=1S/C14H11IN4O2/c15-13-12-14(17-7-16-13)19(8-18-12)11-6-20-10-4-2-1-3-9(10)5-21-11/h1-4,7-8,11H,5-6H2