9-cyclopentyl-N8-(3-fluorophenyl)-N2-(4-methoxyphenyl)purine-2,8-diamine

Systemtic Name: 9-cyclopentyl-N8-(3-fluorophenyl)-N2-(4-methoxyphenyl)purine-2,8-diamine Openeye Name: 9-cyclopentyl-N8-(3-fluorophenyl)-N2-(4-methoxyphenyl)purine-2,8-diamine CAS Name: 9-cyclopentyl-N8-(3-fluorophenyl)-N2-(4-methoxyphenyl)purine-2,8-diamine IUPAC Name: 9-cyclopentyl-8-N-(3-fluorophenyl)-2-N-(4-methoxyphenyl)purine-2,8-diamine Traditional Name: [9-cyclopentyl-8-(3-fluoroanilino)purin-2-yl]-(4-methoxyphenyl)amine Formula: C23H23FN6O MolecularWeight: 418.466723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)NC4=CC(=CC=C4)F)C5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C(=N3)NC4=CC(=CC=C4)F)C5CCCC5

InChI

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