8-(2-fluoranyl-3-oxidanyl-phenyl)-1,3,7-tris(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(2-fluoranyl-3-oxidanyl-phenyl)-1,3,7-tris(phenylmethyl)purine-2,6-dione Openeye Name: 1,3,7-tribenzyl-8-(2-fluoro-3-hydroxy-phenyl)purine-2,6-dione CAS Name: 8-(2-fluoro-3-hydroxyphenyl)-1,3,7-tris(phenylmethyl)purine-2,6-dione IUPAC Name: 1,3,7-tribenzyl-8-(2-fluoro-3-hydroxyphenyl)purine-2,6-dione Traditional Name: 1,3,7-tribenzyl-8-(2-fluoro-3-hydroxy-phenyl)xanthine Formula: C32H25FN4O3 MolecularWeight: 532.564303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(N=C2C4=C(C(=CC=C4)O)F)N(C(=O)N(C3=O)CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(N=C2C4=C(C(=CC=C4)O)F)N(C(=O)N(C3=O)CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C32H25FN4O3/c33-27-25(17-10-18-26(27)38)29-34-30-28(35(29)19-22-11-4-1-5-12-22)31(39)37(21-24-15-8-3-9-16-24)32(40)36(30)20-23-13-6-2-7-14-23/h1-18,38H,19-21H2