6-chloranyl-7-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)purine

Systemtic Name: 6-chloranyl-7-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)purine Openeye Name: 6-chloro-7-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)purine CAS Name: 6-chloro-7-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)purine IUPAC Name: 6-chloro-7-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)purine Traditional Name: 6-chloro-7-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)purine Formula: C14H11ClN4OS MolecularWeight: 318.78134

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2S1)N3C=NC4=C3C(=NC=N4)Cl

Isomeric SMILES

C1C(OCC2=CC=CC=C2S1)N3C=NC4=C3C(=NC=N4)Cl

InChI

InChI=1S/C14H11ClN4OS/c15-13-12-14(17-7-16-13)18-8-19(12)11-6-21-10-4-2-1-3-9(10)5-20-11/h1-4,7-8,11H,5-6H2