8-bromanyl-N-ethyl-2-phenethyloxy-9-phenyl-purin-6-amine

Systemtic Name: 8-bromanyl-N-ethyl-2-phenethyloxy-9-phenyl-purin-6-amine Openeye Name: 8-bromo-N-ethyl-2-phenethyloxy-9-phenyl-purin-6-amine CAS Name: 8-bromo-N-ethyl-2-phenethyloxy-9-phenyl-6-purinamine IUPAC Name: 8-bromo-N-ethyl-2-phenethyloxy-9-phenylpurin-6-amine Traditional Name: (8-bromo-2-phenethyloxy-9-phenyl-purin-6-yl)-ethyl-amine Formula: C21H20BrN5O MolecularWeight: 438.3204

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C21H20BrN5O/c1-2-23-18-17-19(27(20(22)24-17)16-11-7-4-8-12-16)26-21(25-18)28-14-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,23,25,26)