N2,N6-bis[(4-methoxyphenyl)methyl]-9-piperidin-4-yl-purine-2,6-diamine

Systemtic Name: N2,N6-bis[(4-methoxyphenyl)methyl]-9-piperidin-4-yl-purine-2,6-diamine Openeye Name: N2,N6-bis[(4-methoxyphenyl)methyl]-9-(4-piperidyl)purine-2,6-diamine CAS Name: N2,N6-bis[(4-methoxyphenyl)methyl]-9-(4-piperidinyl)purine-2,6-diamine IUPAC Name: 2-N,6-N-bis[(4-methoxyphenyl)methyl]-9-piperidin-4-ylpurine-2,6-diamine Traditional Name: p-anisyl-[2-(p-anisylamino)-9-(4-piperidyl)purin-6-yl]amine Formula: C26H31N7O2 MolecularWeight: 473.57004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCNCC4)NCC5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCNCC4)NCC5=CC=C(C=C5)OC

InChI

InChI=1S/C26H31N7O2/c1-34-21-7-3-18(4-8-21)15-28-24-23-25(33(17-30-23)20-11-13-27-14-12-20)32-26(31-24)29-16-19-5-9-22(35-2)10-6-19/h3-10,17,20,27H,11-16H2,1-2H3,(H2,28,29,31,32)