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

Systemtic Name: 8-ethyl-9-(4-methoxyphenyl)-N2-phenethyl-purine-2,6-diamine Openeye Name: 8-ethyl-9-(4-methoxyphenyl)-N2-phenethyl-purine-2,6-diamine CAS Name: 8-ethyl-9-(4-methoxyphenyl)-N2-phenethylpurine-2,6-diamine IUPAC Name: 8-ethyl-9-(4-methoxyphenyl)-2-N-phenethylpurine-2,6-diamine Traditional Name: [6-amino-8-ethyl-9-(4-methoxyphenyl)purin-2-yl]-phenethyl-amine Formula: C22H24N6O MolecularWeight: 388.46556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C3=CC=C(C=C3)OC)N=C(N=C2N)NCCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=C(N1C3=CC=C(C=C3)OC)N=C(N=C2N)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H24N6O/c1-3-18-25-19-20(23)26-22(24-14-13-15-7-5-4-6-8-15)27-21(19)28(18)16-9-11-17(29-2)12-10-16/h4-12H,3,13-14H2,1-2H3,(H3,23,24,26,27)