(2,6-dimorpholin-4-yl-7H-purin-8-yl)-(3-methylphenyl)methanone

Systemtic Name: (2,6-dimorpholin-4-yl-7H-purin-8-yl)-(3-methylphenyl)methanone Openeye Name: (2,6-dimorpholino-7H-purin-8-yl)-(m-tolyl)methanone CAS Name: [2,6-bis(4-morpholinyl)-7H-purin-8-yl]-(3-methylphenyl)methanone IUPAC Name: (2,6-dimorpholin-4-yl-7H-purin-8-yl)-(3-methylphenyl)methanone Traditional Name: (2,6-dimorpholino-7H-purin-8-yl)-(m-tolyl)methanone Formula: C21H24N6O3 MolecularWeight: 408.45366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=NC3=C(N2)C(=NC(=N3)N4CCOCC4)N5CCOCC5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=NC3=C(N2)C(=NC(=N3)N4CCOCC4)N5CCOCC5

InChI

InChI=1S/C21H24N6O3/c1-14-3-2-4-15(13-14)17(28)19-22-16-18(23-19)24-21(27-7-11-30-12-8-27)25-20(16)26-5-9-29-10-6-26/h2-4,13H,5-12H2,1H3,(H,22,23,24,25)