5-fluoranyl-2-[[9-phenethyl-8-[(4-phenoxyphenyl)amino]purin-6-yl]amino]phenol

Systemtic Name: 5-fluoranyl-2-[[9-phenethyl-8-[(4-phenoxyphenyl)amino]purin-6-yl]amino]phenol Openeye Name: 5-fluoro-2-[[9-phenethyl-8-(4-phenoxyanilino)purin-6-yl]amino]phenol CAS Name: 5-fluoro-2-[[9-phenethyl-8-(4-phenoxyanilino)-6-purinyl]amino]phenol IUPAC Name: 5-fluoro-2-[[9-phenethyl-8-(4-phenoxyanilino)purin-6-yl]amino]phenol Traditional Name: 5-fluoro-2-[[9-phenethyl-8-(4-phenoxyanilino)purin-6-yl]amino]phenol Formula: C31H25FN6O2 MolecularWeight: 532.567603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)NC4=C(C=C(C=C4)F)O)N=C2NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C(=NC=N3)NC4=C(C=C(C=C4)F)O)N=C2NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C31H25FN6O2/c32-22-11-16-26(27(39)19-22)36-29-28-30(34-20-33-29)38(18-17-21-7-3-1-4-8-21)31(37-28)35-23-12-14-25(15-13-23)40-24-9-5-2-6-10-24/h1-16,19-20,39H,17-18H2,(H,35,37)(H,33,34,36)