8-bromanyl-N-ethyl-9-(4-methoxyphenyl)-2-phenethyloxy-purin-6-amine

Systemtic Name: 8-bromanyl-N-ethyl-9-(4-methoxyphenyl)-2-phenethyloxy-purin-6-amine Openeye Name: 8-bromo-N-ethyl-9-(4-methoxyphenyl)-2-phenethyloxy-purin-6-amine CAS Name: 8-bromo-N-ethyl-9-(4-methoxyphenyl)-2-phenethyloxy-6-purinamine IUPAC Name: 8-bromo-N-ethyl-9-(4-methoxyphenyl)-2-phenethyloxypurin-6-amine Traditional Name: [8-bromo-9-(4-methoxyphenyl)-2-phenethyloxy-purin-6-yl]-ethyl-amine Formula: C22H22BrN5O2 MolecularWeight: 468.34638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O2/c1-3-24-19-18-20(27-22(26-19)30-14-13-15-7-5-4-6-8-15)28(21(23)25-18)16-9-11-17(29-2)12-10-16/h4-12H,3,13-14H2,1-2H3,(H,24,26,27)