Molecule ID: 26033

IUPAC Name: ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

Description: The molecule is a member of the class of pyrazolopyrimidines that is the ethyl ester of 2-[(diethoxyphosphorothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid. A profungicide (by hydrolysis of the thionophosphate group to afford the corresponding 2-hydroxypyrazolopyrimidine fungicide), it is used to control Erysiphe, Helminthosporium and Rhynchospium in cereals. It has a role as a phospholipid biosynthesis inhibitor, an insecticide, an antifungal agrochemical and a profungicide. It is a pyrazolopyrimidine, an organic thiophosphate and an ethyl ester. It derives from an ethyl 2-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

SMILES: CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C

SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][N][N][=C][Branch1][=C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][C][C][=C][Ring1][=C][N][=C][Ring2][Ring1][C][C]

InChI: InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 3.1