3-(3-fluorophenyl)-7-(1-phenylethyl)-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-(3-fluorophenyl)-7-(1-phenylethyl)-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-3-(3-fluorophenyl)-7-(1-phenylethyl)purine-2,6-dione CAS Name: 3-(3-fluorophenyl)-7-(1-phenylethyl)-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3-(3-fluorophenyl)-7-(1-phenylethyl)purine-2,6-dione Traditional Name: 1-benzyl-3-(3-fluorophenyl)-7-(1-phenylethyl)xanthine Formula: C26H21FN4O2 MolecularWeight: 440.468943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C4=CC(=CC=C4)F)CC5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C4=CC(=CC=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C26H21FN4O2/c1-18(20-11-6-3-7-12-20)30-17-28-24-23(30)25(32)29(16-19-9-4-2-5-10-19)26(33)31(24)22-14-8-13-21(27)15-22/h2-15,17-18H,16H2,1H3