N2,9-bis(3,5-dimethylphenyl)-6-morpholin-4-yl-purine-2,8-diamine

Systemtic Name: N2,9-bis(3,5-dimethylphenyl)-6-morpholin-4-yl-purine-2,8-diamine Openeye Name: N2,9-bis(3,5-dimethylphenyl)-6-morpholino-purine-2,8-diamine CAS Name: N2,9-bis(3,5-dimethylphenyl)-6-(4-morpholinyl)purine-2,8-diamine IUPAC Name: 2-N,9-bis(3,5-dimethylphenyl)-6-morpholin-4-ylpurine-2,8-diamine Traditional Name: [8-amino-9-(3,5-dimethylphenyl)-6-morpholino-purin-2-yl]-(3,5-dimethylphenyl)amine Formula: C25H29N7O MolecularWeight: 443.54406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC3=C(C(=N2)N4CCOCC4)N=C(N3C5=CC(=CC(=C5)C)C)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC3=C(C(=N2)N4CCOCC4)N=C(N3C5=CC(=CC(=C5)C)C)N)C

InChI

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