8-bromanyl-N6-ethyl-9-phenyl-N2-(3-phenylpropyl)purine-2,6-diamine

Systemtic Name: 8-bromanyl-N6-ethyl-9-phenyl-N2-(3-phenylpropyl)purine-2,6-diamine Openeye Name: 8-bromo-N6-ethyl-9-phenyl-N2-(3-phenylpropyl)purine-2,6-diamine CAS Name: 8-bromo-N6-ethyl-9-phenyl-N2-(3-phenylpropyl)purine-2,6-diamine IUPAC Name: 8-bromo-6-N-ethyl-9-phenyl-2-N-(3-phenylpropyl)purine-2,6-diamine Traditional Name: [8-bromo-6-(ethylamino)-9-phenyl-purin-2-yl]-(3-phenylpropyl)amine Formula: C22H23BrN6 MolecularWeight: 451.36222

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)Br)NCCCC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=NC2=C1N=C(N2C3=CC=CC=C3)Br)NCCCC4=CC=CC=C4

InChI

InChI=1S/C22H23BrN6/c1-2-24-19-18-20(29(21(23)26-18)17-13-7-4-8-14-17)28-22(27-19)25-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14H,2,9,12,15H2,1H3,(H2,24,25,27,28)