N2-[(4-methoxyphenyl)methyl]-9-(naphthalen-1-ylmethyl)-N6-phenethyl-purine-2,6-diamine

Systemtic Name: N2-[(4-methoxyphenyl)methyl]-9-(naphthalen-1-ylmethyl)-N6-phenethyl-purine-2,6-diamine Openeye Name: N2-[(4-methoxyphenyl)methyl]-9-(1-naphthylmethyl)-N6-phenethyl-purine-2,6-diamine CAS Name: N2-[(4-methoxyphenyl)methyl]-9-(1-naphthalenylmethyl)-N6-phenethylpurine-2,6-diamine IUPAC Name: 2-N-[(4-methoxyphenyl)methyl]-9-(naphthalen-1-ylmethyl)-6-N-phenethylpurine-2,6-diamine Traditional Name: [9-(1-naphthylmethyl)-2-(p-anisylamino)purin-6-yl]-phenethyl-amine Formula: C32H30N6O MolecularWeight: 514.6202

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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=CC6=CC=CC=C65

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C32H30N6O/c1-39-27-16-14-24(15-17-27)20-34-32-36-30(33-19-18-23-8-3-2-4-9-23)29-31(37-32)38(22-35-29)21-26-12-7-11-25-10-5-6-13-28(25)26/h2-17,22H,18-21H2,1H3,(H2,33,34,36,37)