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

Systemtic Name: N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9-propyl-purine-2,8-diamine Openeye Name: N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9-propyl-purine-2,8-diamine CAS Name: N8-(2-fluorophenyl)-N2-(4-methoxyphenyl)-9-propylpurine-2,8-diamine IUPAC Name: 8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-propylpurine-2,8-diamine Traditional Name: [8-(2-fluoroanilino)-9-propyl-purin-2-yl]-(4-methoxyphenyl)amine Formula: C21H21FN6O MolecularWeight: 392.429443

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC=C2N=C1NC3=CC=CC=C3F)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C2=NC(=NC=C2N=C1NC3=CC=CC=C3F)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H21FN6O/c1-3-12-28-19-18(26-21(28)25-17-7-5-4-6-16(17)22)13-23-20(27-19)24-14-8-10-15(29-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,25,26)(H,23,24,27)