8-bromanyl-N6-ethyl-9-(4-methoxyphenyl)-N2-phenethyl-purine-2,6-diamine

Systemtic Name: 8-bromanyl-N6-ethyl-9-(4-methoxyphenyl)-N2-phenethyl-purine-2,6-diamine Openeye Name: 8-bromo-N6-ethyl-9-(4-methoxyphenyl)-N2-phenethyl-purine-2,6-diamine CAS Name: 8-bromo-N6-ethyl-9-(4-methoxyphenyl)-N2-phenethylpurine-2,6-diamine IUPAC Name: 8-bromo-6-N-ethyl-9-(4-methoxyphenyl)-2-N-phenethylpurine-2,6-diamine Traditional Name: [8-bromo-6-(ethylamino)-9-(4-methoxyphenyl)purin-2-yl]-phenethyl-amine Formula: C22H23BrN6O MolecularWeight: 467.36162

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=C(N2C3=CC=C(C=C3)OC)Br)NCCC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=NC2=C1N=C(N2C3=CC=C(C=C3)OC)Br)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H23BrN6O/c1-3-24-19-18-20(28-22(27-19)25-14-13-15-7-5-4-6-8-15)29(21(23)26-18)16-9-11-17(30-2)12-10-16/h4-12H,3,13-14H2,1-2H3,(H2,24,25,27,28)