Molecule ID: 3802768

IUPAC Name: 7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-morpholin-4-ylpurine-2,6-dione

Description: The molecule is a member of the class of oxopurines that is 3-methyl-8-(morpholin-4-yl)-3,7-dihydropurine-2,6-dione bearing an additional 2-hydroxy-3-[(naphthalen-1-yl)oxy]propyl substituent at position 7. It is a member of morpholines, an alkyloxynaphthalene, a secondary alcohol and an oxopurine.

SMILES: Cn1c(=O)nc(O)c2c1nc(N1CCOCC1)n2CC(O)COc1cccc2ccccc12

SELFIES: [C][N][C][=Branch1][C][=O][N][=C][Branch1][C][O][C][=C][Ring1][Branch2][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]

InChI: InChI=1S/C23H25N5O5/c1-26-20-19(21(30)25-23(26)31)28(22(24-20)27-9-11-32-12-10-27)13-16(29)14-33-18-8-4-6-15-5-2-3-7-17(15)18/h2-8,16,29H,9-14H2,1H3,(H,25,30,31)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: 1.7