8-bromanyl-N6-ethyl-N2-phenethyl-9-phenyl-purine-2,6-diamine

Systemtic Name: 8-bromanyl-N6-ethyl-N2-phenethyl-9-phenyl-purine-2,6-diamine Openeye Name: 8-bromo-N6-ethyl-N2-phenethyl-9-phenyl-purine-2,6-diamine CAS Name: 8-bromo-N6-ethyl-N2-phenethyl-9-phenylpurine-2,6-diamine IUPAC Name: 8-bromo-6-N-ethyl-2-N-phenethyl-9-phenylpurine-2,6-diamine Traditional Name: [8-bromo-6-(ethylamino)-9-phenyl-purin-2-yl]-phenethyl-amine Formula: C21H21BrN6 MolecularWeight: 437.33564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN6/c1-2-23-18-17-19(28(20(22)25-17)16-11-7-4-8-12-16)27-21(26-18)24-14-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H2,23,24,26,27)