N2-(2-fluorophenyl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(2-fluorophenyl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(2-fluorophenyl)-9-isopropyl-N6-[(4-methoxyphenyl)methyl]purine-2,6-diamine CAS Name: N2-(2-fluorophenyl)-N6-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(2-fluorophenyl)-6-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: [2-(2-fluoroanilino)-9-isopropyl-purin-6-yl]-p-anisyl-amine Formula: C22H23FN6O MolecularWeight: 406.456023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NC4=CC=CC=C4F

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)OC)NC4=CC=CC=C4F

InChI

InChI=1S/C22H23FN6O/c1-14(2)29-13-25-19-20(24-12-15-8-10-16(30-3)11-9-15)27-22(28-21(19)29)26-18-7-5-4-6-17(18)23/h4-11,13-14H,12H2,1-3H3,(H2,24,26,27,28)