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

Systemtic Name: N2-[(4-methoxyphenyl)methyl]-N6-phenethyl-9-(2-piperidin-1-ylethyl)purine-2,6-diamine Openeye Name: N2-[(4-methoxyphenyl)methyl]-N6-phenethyl-9-[2-(1-piperidyl)ethyl]purine-2,6-diamine CAS Name: N2-[(4-methoxyphenyl)methyl]-N6-phenethyl-9-[2-(1-piperidinyl)ethyl]purine-2,6-diamine IUPAC Name: 2-N-[(4-methoxyphenyl)methyl]-6-N-phenethyl-9-(2-piperidin-1-ylethyl)purine-2,6-diamine Traditional Name: p-anisyl-[6-(phenethylamino)-9-(2-piperidinoethyl)purin-2-yl]amine Formula: C28H35N7O MolecularWeight: 485.6238

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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=CN3CCN5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CCN5CCCCC5

InChI

InChI=1S/C28H35N7O/c1-36-24-12-10-23(11-13-24)20-30-28-32-26(29-15-14-22-8-4-2-5-9-22)25-27(33-28)35(21-31-25)19-18-34-16-6-3-7-17-34/h2,4-5,8-13,21H,3,6-7,14-20H2,1H3,(H2,29,30,32,33)