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

Systemtic Name: N2-[(4-methoxyphenyl)methyl]-N6-phenethyl-9-(phenylmethyl)purine-2,6-diamine Openeye Name: 9-benzyl-N2-[(4-methoxyphenyl)methyl]-N6-phenethyl-purine-2,6-diamine CAS Name: N2-[(4-methoxyphenyl)methyl]-N6-phenethyl-9-(phenylmethyl)purine-2,6-diamine IUPAC Name: 9-benzyl-2-N-[(4-methoxyphenyl)methyl]-6-N-phenethylpurine-2,6-diamine Traditional Name: [9-benzyl-2-(p-anisylamino)purin-6-yl]-phenethyl-amine Formula: C28H28N6O MolecularWeight: 464.56152

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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=CN3CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=CC=C5

InChI

InChI=1S/C28H28N6O/c1-35-24-14-12-22(13-15-24)18-30-28-32-26(29-17-16-21-8-4-2-5-9-21)25-27(33-28)34(20-31-25)19-23-10-6-3-7-11-23/h2-15,20H,16-19H2,1H3,(H2,29,30,32,33)