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

Systemtic Name: 6-(2,4-dichlorophenyl)sulfanyl-9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)purine Openeye Name: 6-(2,4-dichlorophenyl)sulfanyl-9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)purine CAS Name: 6-[(2,4-dichlorophenyl)thio]-9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)purine IUPAC Name: 6-(2,4-dichlorophenyl)sulfanyl-9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)purine Traditional Name: 6-[(2,4-dichlorophenyl)thio]-9-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)purine Formula: C20H14Cl2N4O2S MolecularWeight: 445.32176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14Cl2N4O2S/c21-13-5-6-16(14(22)7-13)29-20-18-19(23-10-24-20)26(11-25-18)17-9-27-15-4-2-1-3-12(15)8-28-17/h1-7,10-11,17H,8-9H2