2-[(3-ethyl-4-methyl-phenyl)amino]-7-(4-morpholin-4-ylbutyl)-3H-purin-6-one

Systemtic Name: 2-[(3-ethyl-4-methyl-phenyl)amino]-7-(4-morpholin-4-ylbutyl)-3H-purin-6-one Openeye Name: 2-(3-ethyl-4-methyl-anilino)-7-(4-morpholinobutyl)-3H-purin-6-one CAS Name: 2-(3-ethyl-4-methylanilino)-7-[4-(4-morpholinyl)butyl]-3H-purin-6-one IUPAC Name: 2-(3-ethyl-4-methylanilino)-7-(4-morpholin-4-ylbutyl)-3H-purin-6-one Traditional Name: 2-(3-ethyl-4-methyl-anilino)-7-(4-morpholinobutyl)-3H-purin-6-one Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCN4CCOCC4)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCN4CCOCC4)C

InChI

InChI=1S/C22H30N6O2/c1-3-17-14-18(7-6-16(17)2)24-22-25-20-19(21(29)26-22)28(15-23-20)9-5-4-8-27-10-12-30-13-11-27/h6-7,14-15H,3-5,8-13H2,1-2H3,(H2,24,25,26,29)