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

Systemtic Name: N2-[(4-methoxyphenyl)methyl]-9-(2-morpholin-4-ylethyl)-N6-phenethyl-purine-2,6-diamine Openeye Name: N2-[(4-methoxyphenyl)methyl]-9-(2-morpholinoethyl)-N6-phenethyl-purine-2,6-diamine CAS Name: N2-[(4-methoxyphenyl)methyl]-9-[2-(4-morpholinyl)ethyl]-N6-phenethylpurine-2,6-diamine IUPAC Name: 2-N-[(4-methoxyphenyl)methyl]-9-(2-morpholin-4-ylethyl)-6-N-phenethylpurine-2,6-diamine Traditional Name: [9-(2-morpholinoethyl)-2-(p-anisylamino)purin-6-yl]-phenethyl-amine Formula: C27H33N7O2 MolecularWeight: 487.59662

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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=CN3CCN5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC3=C(C(=N2)NCCC4=CC=CC=C4)N=CN3CCN5CCOCC5

InChI

InChI=1S/C27H33N7O2/c1-35-23-9-7-22(8-10-23)19-29-27-31-25(28-12-11-21-5-3-2-4-6-21)24-26(32-27)34(20-30-24)14-13-33-15-17-36-18-16-33/h2-10,20H,11-19H2,1H3,(H2,28,29,31,32)