9-(1,3-benzodioxol-4-ylmethyl)-6-chloranyl-purine

Systemtic Name: 9-(1,3-benzodioxol-4-ylmethyl)-6-chloranyl-purine Openeye Name: 9-(1,3-benzodioxol-4-ylmethyl)-6-chloro-purine CAS Name: 9-(1,3-benzodioxol-4-ylmethyl)-6-chloropurine IUPAC Name: 9-(1,3-benzodioxol-4-ylmethyl)-6-chloropurine Traditional Name: 9-(1,3-benzodioxol-4-ylmethyl)-6-chloro-purine Formula: C13H9ClN4O2 MolecularWeight: 288.68916

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CN3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CN3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C13H9ClN4O2/c14-12-10-13(16-5-15-12)18(6-17-10)4-8-2-1-3-9-11(8)20-7-19-9/h1-3,5-6H,4,7H2