3-[[9-(3-fluorophenyl)-8-[(4-phenoxyphenyl)amino]purin-6-yl]amino]phenol

Systemtic Name: 3-[[9-(3-fluorophenyl)-8-[(4-phenoxyphenyl)amino]purin-6-yl]amino]phenol Openeye Name: 3-[[9-(3-fluorophenyl)-8-(4-phenoxyanilino)purin-6-yl]amino]phenol CAS Name: 3-[[9-(3-fluorophenyl)-8-(4-phenoxyanilino)-6-purinyl]amino]phenol IUPAC Name: 3-[[9-(3-fluorophenyl)-8-(4-phenoxyanilino)purin-6-yl]amino]phenol Traditional Name: 3-[[9-(3-fluorophenyl)-8-(4-phenoxyanilino)purin-6-yl]amino]phenol Formula: C29H21FN6O2 MolecularWeight: 504.514443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC4=C(N3C5=CC(=CC=C5)F)N=CN=C4NC6=CC(=CC=C6)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC4=C(N3C5=CC(=CC=C5)F)N=CN=C4NC6=CC(=CC=C6)O

InChI

InChI=1S/C29H21FN6O2/c30-19-6-4-8-22(16-19)36-28-26(27(31-18-32-28)33-21-7-5-9-23(37)17-21)35-29(36)34-20-12-14-25(15-13-20)38-24-10-2-1-3-11-24/h1-18,37H,(H,34,35)(H,31,32,33)