Molecule ID: 86355

IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-methyl-4-(2-methyltetrazol-5-yl)pyrazol-3-yl]sulfonylurea

Description: The molecule is an N-sulfonylurea that is urea in which a nitrogen attached to one of the nitrogens has been replaced by a 4,6-dipyrimidin-2-yl group while a hydrogen attached to the other urea nitrogen has been replaced by a [1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazol-5-yl]sulfonyl group. An acetolactate synthase inhibitor, it is used as a herbicide for the control of a variety of broad-leaved and sedge weeds in paddy fields and other aquatic situations. It has a role as a herbicide and an EC 2.2.1.6 (acetolactate synthase) inhibitor. It is an aromatic ether, a biaryl, a N-sulfonylurea, a member of tetrazoles and a pyrazole pesticide.

SMILES: COc1cc(OC)nc(N=C(O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1

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

InChI: InChI=1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)

Molecular Properties:
- Polar Surface Area: 189.0 Ų
- LogP: 0.3