7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-methylsulfanyl-purine

Systemtic Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-methylsulfanyl-purine Openeye Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-methylsulfanyl-purine CAS Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(methylthio)purine IUPAC Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-methylsulfanylpurine Traditional Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(methylthio)purine Formula: C15H14N4O2S MolecularWeight: 314.36226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N(C=N2)C3COC4=CC=CC=C4CO3

Isomeric SMILES

CSC1=NC=NC2=C1N(C=N2)C3COC4=CC=CC=C4CO3

InChI

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