N2,N8-bis(3,5-dimethylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine

Systemtic Name: N2,N8-bis(3,5-dimethylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine Openeye Name: N2,N8-bis(3,5-dimethylphenyl)-6-morpholino-7H-purine-2,8-diamine CAS Name: N2,N8-bis(3,5-dimethylphenyl)-6-(4-morpholinyl)-7H-purine-2,8-diamine IUPAC Name: 2-N,8-N-bis(3,5-dimethylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine Traditional Name: [2-(3,5-dimethylanilino)-6-morpholino-7H-purin-8-yl]-(3,5-dimethylphenyl)amine Formula: C25H29N7O MolecularWeight: 443.54406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC3=C(N2)C(=NC(=N3)NC4=CC(=CC(=C4)C)C)N5CCOCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC3=C(N2)C(=NC(=N3)NC4=CC(=CC(=C4)C)C)N5CCOCC5)C

InChI

InChI=1S/C25H29N7O/c1-15-9-16(2)12-19(11-15)26-24-28-21-22(29-24)30-25(27-20-13-17(3)10-18(4)14-20)31-23(21)32-5-7-33-8-6-32/h9-14H,5-8H2,1-4H3,(H3,26,27,28,29,30,31)