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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H21FN6O2/c30-19-6-4-7-21(16-19)33-27-26-28(32-18-31-27)36(22-8-5-9-23(37)17-22)29(35-26)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)