9-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-6-methoxy-purine

Systemtic Name: 9-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-6-methoxy-purine Openeye Name: 9-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-6-methoxy-purine CAS Name: 9-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-6-methoxypurine IUPAC Name: 9-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-6-methoxypurine Traditional Name: 9-(3,5-dihydro-2H-4,1-benzoxathiepin-3-yl)-6-methoxy-purine Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1N=CN2C3CSC4=CC=CC=C4CO3

Isomeric SMILES

COC1=NC=NC2=C1N=CN2C3CSC4=CC=CC=C4CO3

InChI

InChI=1S/C15H14N4O2S/c1-20-15-13-14(16-8-17-15)19(9-18-13)12-7-22-11-5-3-2-4-10(11)6-21-12/h2-5,8-9,12H,6-7H2,1H3