9-(2,4-dimethylpentan-3-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3H-purin-6-one

Systemtic Name: 9-(2,4-dimethylpentan-3-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3H-purin-6-one Openeye Name: 9-(1-isopropyl-2-methyl-propyl)-2-[[2-(2-morpholinoethoxy)phenyl]methyl]-3H-purin-6-one CAS Name: 9-(2,4-dimethylpentan-3-yl)-2-[[2-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-3H-purin-6-one IUPAC Name: 9-(2,4-dimethylpentan-3-yl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-3H-purin-6-one Traditional Name: 9-(1-isopropyl-2-methyl-propyl)-2-[2-(2-morpholinoethoxy)benzyl]-3H-purin-6-one Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)N1C=NC2=C1NC(=NC2=O)CC3=CC=CC=C3OCCN4CCOCC4

Isomeric SMILES

CC(C)C(C(C)C)N1C=NC2=C1NC(=NC2=O)CC3=CC=CC=C3OCCN4CCOCC4

InChI

InChI=1S/C25H35N5O3/c1-17(2)23(18(3)4)30-16-26-22-24(30)27-21(28-25(22)31)15-19-7-5-6-8-20(19)33-14-11-29-9-12-32-13-10-29/h5-8,16-18,23H,9-15H2,1-4H3,(H,27,28,31)