N2-[2-(3,4-dimethoxyphenyl)ethyl]-N8-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine

Systemtic Name: N2-[2-(3,4-dimethoxyphenyl)ethyl]-N8-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine Openeye Name: N2-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholino-N8-(p-tolyl)-7H-purine-2,8-diamine CAS Name: N2-[2-(3,4-dimethoxyphenyl)ethyl]-N8-(4-methylphenyl)-6-(4-morpholinyl)-7H-purine-2,8-diamine IUPAC Name: 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-8-N-(4-methylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine Traditional Name: homoveratryl-[6-morpholino-8-(p-toluidino)-7H-purin-2-yl]amine Formula: C26H31N7O3 MolecularWeight: 489.56944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=C(N2)C(=NC(=N3)NCCC4=CC(=C(C=C4)OC)OC)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=C(N2)C(=NC(=N3)NCCC4=CC(=C(C=C4)OC)OC)N5CCOCC5

InChI

InChI=1S/C26H31N7O3/c1-17-4-7-19(8-5-17)28-26-29-22-23(31-26)30-25(32-24(22)33-12-14-36-15-13-33)27-11-10-18-6-9-20(34-2)21(16-18)35-3/h4-9,16H,10-15H2,1-3H3,(H3,27,28,29,30,31,32)