Molecule ID: 64993

IUPAC Name: 1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione

Description: The molecule is a pyrimidone that is thymine which is substituted at positions 1 and 6 by a (2-hydroxyethoxy)methyl group and a phenylsulfanyl group, respectively. It has a role as a HIV-1 reverse transcriptase inhibitor and an antiviral drug. It is a pyrimidone, an aryl sulfide and a primary alcohol. It derives from a thymine.

SMILES: Cc1c(O)nc(=O)n(COCCO)c1Sc1ccccc1

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

InChI: InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 1.1