9-(2-azanylethyl)-N2-[(4-methoxyphenyl)methyl]-N6-phenethyl-purine-2,6-diamine

Systemtic Name: 9-(2-azanylethyl)-N2-[(4-methoxyphenyl)methyl]-N6-phenethyl-purine-2,6-diamine Openeye Name: 9-(2-aminoethyl)-N2-[(4-methoxyphenyl)methyl]-N6-phenethyl-purine-2,6-diamine CAS Name: 9-(2-aminoethyl)-N2-[(4-methoxyphenyl)methyl]-N6-phenethylpurine-2,6-diamine IUPAC Name: 9-(2-aminoethyl)-2-N-[(4-methoxyphenyl)methyl]-6-N-phenethylpurine-2,6-diamine Traditional Name: [9-(2-aminoethyl)-2-(p-anisylamino)purin-6-yl]-phenethyl-amine Formula: C23H27N7O MolecularWeight: 417.50678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CCN

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CCN

InChI

InChI=1S/C23H27N7O/c1-31-19-9-7-18(8-10-19)15-26-23-28-21(25-13-11-17-5-3-2-4-6-17)20-22(29-23)30(14-12-24)16-27-20/h2-10,16H,11-15,24H2,1H3,(H2,25,26,28,29)