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

Systemtic Name: N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9-(2-methylpropyl)purine-2,8-diamine Openeye Name: N8-(2-fluorophenyl)-9-isobutyl-N2-(4-methoxyphenyl)purine-2,8-diamine CAS Name: N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9-(2-methylpropyl)purine-2,8-diamine IUPAC Name: 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-(2-methylpropyl)purine-2,8-diamine Traditional Name: [8-(2-fluoroanilino)-9-isobutyl-purin-2-yl]-(4-methoxyphenyl)amine Formula: C22H23FN6O MolecularWeight: 406.456023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NC(=NC=C2N=C1NC3=CC=CC=C3F)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)CN1C2=NC(=NC=C2N=C1NC3=CC=CC=C3F)NC4=CC=C(C=C4)OC

InChI

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