9-cyclopentyl-N8-(2-fluorophenyl)-N2-(3-methoxyphenyl)purine-2,8-diamine

Systemtic Name: 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(3-methoxyphenyl)purine-2,8-diamine Openeye Name: 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(3-methoxyphenyl)purine-2,8-diamine CAS Name: 9-cyclopentyl-N8-(2-fluorophenyl)-N2-(3-methoxyphenyl)purine-2,8-diamine IUPAC Name: 9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)purine-2,8-diamine Traditional Name: [9-cyclopentyl-8-(2-fluoroanilino)purin-2-yl]-(3-methoxyphenyl)amine Formula: C23H23FN6O MolecularWeight: 418.466723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=N3)NC4=CC=CC=C4F)C5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C(=N3)NC4=CC=CC=C4F)C5CCCC5

InChI

InChI=1S/C23H23FN6O/c1-31-17-10-6-7-15(13-17)26-22-25-14-20-21(29-22)30(16-8-2-3-9-16)23(28-20)27-19-12-5-4-11-18(19)24/h4-7,10-14,16H,2-3,8-9H2,1H3,(H,27,28)(H,25,26,29)