2-[(3,4-dimethylphenyl)methylamino]-7-(4-morpholin-4-ylbutyl)-3H-purin-6-one

Systemtic Name: 2-[(3,4-dimethylphenyl)methylamino]-7-(4-morpholin-4-ylbutyl)-3H-purin-6-one Openeye Name: 2-[(3,4-dimethylphenyl)methylamino]-7-(4-morpholinobutyl)-3H-purin-6-one CAS Name: 2-[(3,4-dimethylphenyl)methylamino]-7-[4-(4-morpholinyl)butyl]-3H-purin-6-one IUPAC Name: 2-[(3,4-dimethylphenyl)methylamino]-7-(4-morpholin-4-ylbutyl)-3H-purin-6-one Traditional Name: 2-[(3,4-dimethylbenzyl)amino]-7-(4-morpholinobutyl)-3H-purin-6-one Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCN4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NC(=O)C3=C(N2)N=CN3CCCCN4CCOCC4)C

InChI

InChI=1S/C22H30N6O2/c1-16-5-6-18(13-17(16)2)14-23-22-25-20-19(21(29)26-22)28(15-24-20)8-4-3-7-27-9-11-30-12-10-27/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H2,23,25,26,29)