2-(2-fluorophenyl)-7-(3-phenoxypropyl)-3H-purin-6-one

Systemtic Name: 2-(2-fluorophenyl)-7-(3-phenoxypropyl)-3H-purin-6-one Openeye Name: 2-(2-fluorophenyl)-7-(3-phenoxypropyl)-3H-purin-6-one CAS Name: 2-(2-fluorophenyl)-7-(3-phenoxypropyl)-3H-purin-6-one IUPAC Name: 2-(2-fluorophenyl)-7-(3-phenoxypropyl)-3H-purin-6-one Traditional Name: 2-(2-fluorophenyl)-7-(3-phenoxypropyl)-3H-purin-6-one Formula: C20H17FN4O2 MolecularWeight: 364.372983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCN2C=NC3=C2C(=O)N=C(N3)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)OCCCN2C=NC3=C2C(=O)N=C(N3)C4=CC=CC=C4F

InChI

InChI=1S/C20H17FN4O2/c21-16-10-5-4-9-15(16)18-23-19-17(20(26)24-18)25(13-22-19)11-6-12-27-14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2,(H,23,24,26)