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

Systemtic Name: 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-9-pentan-3-yl-3H-purin-6-one Openeye Name: 9-(1-ethylpropyl)-2-[[2-(2-morpholinoethoxy)phenyl]methyl]-3H-purin-6-one CAS Name: 2-[[2-[2-(4-morpholinyl)ethoxy]phenyl]methyl]-9-pentan-3-yl-3H-purin-6-one IUPAC Name: 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-9-pentan-3-yl-3H-purin-6-one Traditional Name: 9-(1-ethylpropyl)-2-[2-(2-morpholinoethoxy)benzyl]-3H-purin-6-one Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c1-3-18(4-2)28-16-24-21-22(28)25-20(26-23(21)29)15-17-7-5-6-8-19(17)31-14-11-27-9-12-30-13-10-27/h5-8,16,18H,3-4,9-15H2,1-2H3,(H,25,26,29)