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

Systemtic Name: N8-(2-fluorophenyl)-9-(2-methylpropyl)-N2-(phenylmethyl)purine-2,8-diamine Openeye Name: N2-benzyl-N8-(2-fluorophenyl)-9-isobutyl-purine-2,8-diamine CAS Name: N8-(2-fluorophenyl)-9-(2-methylpropyl)-N2-(phenylmethyl)purine-2,8-diamine IUPAC Name: 2-N-benzyl-8-N-(2-fluorophenyl)-9-(2-methylpropyl)purine-2,8-diamine Traditional Name: benzyl-[8-(2-fluoroanilino)-9-isobutyl-purin-2-yl]amine Formula: C22H23FN6 MolecularWeight: 390.456623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=NC(=NC=C2N=C1NC3=CC=CC=C3F)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C2=NC(=NC=C2N=C1NC3=CC=CC=C3F)NCC4=CC=CC=C4

InChI

InChI=1S/C22H23FN6/c1-15(2)14-29-20-19(27-22(29)26-18-11-7-6-10-17(18)23)13-25-21(28-20)24-12-16-8-4-3-5-9-16/h3-11,13,15H,12,14H2,1-2H3,(H,26,27)(H,24,25,28)