N2,9-bis(3,4-dimethoxyphenyl)-6-morpholin-4-yl-purine-2,8-diamine

Systemtic Name: N2,9-bis(3,4-dimethoxyphenyl)-6-morpholin-4-yl-purine-2,8-diamine Openeye Name: N2,9-bis(3,4-dimethoxyphenyl)-6-morpholino-purine-2,8-diamine CAS Name: N2,9-bis(3,4-dimethoxyphenyl)-6-(4-morpholinyl)purine-2,8-diamine IUPAC Name: 2-N,9-bis(3,4-dimethoxyphenyl)-6-morpholin-4-ylpurine-2,8-diamine Traditional Name: [8-amino-9-(3,4-dimethoxyphenyl)-6-morpholino-purin-2-yl]-(3,4-dimethoxyphenyl)amine Formula: C25H29N7O5 MolecularWeight: 507.54166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC3=C(C(=N2)N4CCOCC4)N=C(N3C5=CC(=C(C=C5)OC)OC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC3=C(C(=N2)N4CCOCC4)N=C(N3C5=CC(=C(C=C5)OC)OC)N)OC

InChI

InChI=1S/C25H29N7O5/c1-33-17-7-5-15(13-19(17)35-3)27-25-29-22(31-9-11-37-12-10-31)21-23(30-25)32(24(26)28-21)16-6-8-18(34-2)20(14-16)36-4/h5-8,13-14H,9-12H2,1-4H3,(H2,26,28)(H,27,29,30)