Molecule ID: 446515

IUPAC Name: 6-benzyl-1-(phenylmethoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione

Description: The molecule is a pyrimidone that is uracil which is substituted at positions 1, 5, and 6 by benzyloxymethyl, isopropyl, and benzyl groups, respectively. It derives from a uracil.

SMILES: CC(C)c1c(O)nc(=O)n(COCc2ccccc2)c1Cc1ccccc1

SELFIES: [C][C][Branch1][C][C][C][C][Branch1][C][O][=N][C][=Branch1][C][=O][N][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)

Molecular Properties:
- Polar Surface Area: 58.6 Ų
- LogP: 3.7