1,3-benzodioxol-5-yl-(9-phenylpurin-6-yl)methanone

Systemtic Name: 1,3-benzodioxol-5-yl-(9-phenylpurin-6-yl)methanone Openeye Name: 1,3-benzodioxol-5-yl-(9-phenylpurin-6-yl)methanone CAS Name: 1,3-benzodioxol-5-yl-(9-phenyl-6-purinyl)methanone IUPAC Name: 1,3-benzodioxol-5-yl-(9-phenylpurin-6-yl)methanone Traditional Name: 1,3-benzodioxol-5-yl-(9-phenylpurin-6-yl)methanone Formula: C19H12N4O3 MolecularWeight: 344.32358

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C3=C4C(=NC=N3)N(C=N4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C3=C4C(=NC=N3)N(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C19H12N4O3/c24-18(12-6-7-14-15(8-12)26-11-25-14)16-17-19(21-9-20-16)23(10-22-17)13-4-2-1-3-5-13/h1-10H,11H2