6-[(E)-3H-2-benzofuran-1-ylidenemethyl]-9-(phenylmethyl)purine

Systemtic Name: 6-[(E)-3H-2-benzofuran-1-ylidenemethyl]-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-[(E)-3H-isobenzofuran-1-ylidenemethyl]purine CAS Name: 6-[(E)-3H-isobenzofuran-1-ylidenemethyl]-9-(phenylmethyl)purine IUPAC Name: 6-[(E)-3H-2-benzofuran-1-ylidenemethyl]-9-benzylpurine Traditional Name: 9-benzyl-6-[(E)-phthalan-1-ylidenemethyl]purine Formula: C21H16N4O MolecularWeight: 340.37794

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CC3=C4C(=NC=N3)N(C=N4)CC5=CC=CC=C5)O1

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\C3=C4C(=NC=N3)N(C=N4)CC5=CC=CC=C5)/O1

InChI

InChI=1S/C21H16N4O/c1-2-6-15(7-3-1)11-25-14-24-20-18(22-13-23-21(20)25)10-19-17-9-5-4-8-16(17)12-26-19/h1-10,13-14H,11-12H2/b19-10+