Molecule ID: 134111

IUPAC Name: 1-(2-hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-dione

Description: The molecule is a benzyl ether that consists of acyclouridine bearing a 3-(benzyloxy)benzyl substituent at position 5. It is a primary alcohol, a benzyl ether and a hydroxyether. It derives from a uracil.

SMILES: O=c1nc(O)c(Cc2cccc(OCc3ccccc3)c2)cn1COCCO

SELFIES: [O][=C][N][=C][Branch1][C][O][C][Branch2][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][=C][N][Ring2][Ring1][=Branch1][C][O][C][C][O]

InChI: InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)

Molecular Properties:
- Polar Surface Area: 88.1 Ų
- LogP: 1.9