9-cyclohepta-2,4,6-trien-1-yl-6-methoxy-purine

Systemtic Name: 9-cyclohepta-2,4,6-trien-1-yl-6-methoxy-purine Openeye Name: 9-cyclohepta-2,4,6-trien-1-yl-6-methoxy-purine CAS Name: 9-(1-cyclohepta-2,4,6-trienyl)-6-methoxypurine IUPAC Name: 9-cyclohepta-2,4,6-trien-1-yl-6-methoxypurine Traditional Name: 9-cyclohepta-2,4,6-trien-1-yl-6-methoxy-purine Formula: C13H12N4O MolecularWeight: 240.26058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1N=CN2C3C=CC=CC=C3

Isomeric SMILES

COC1=NC=NC2=C1N=CN2C3C=CC=CC=C3

InChI

InChI=1S/C13H12N4O/c1-18-13-11-12(14-8-15-13)17(9-16-11)10-6-4-2-3-5-7-10/h2-10H,1H3