Simazine

Synonyms: simazine, "Simanex", "Princep", "Gesatop", "Taphazine", "Tafazine", "Herbazin", "Aquazine", "Batazina", "Symazine", "Zeapur", "Radocon", "Printop", "Herboxy", "Simadex", "Radokor", "Bitemol", "Herbex", "Amizine", "Gesapun", "Herbazin 50", "Primatol S", "Hungazin DT", "Aktinit S", "Simazin", "Premazine", "Gesaran", "Simazine 80W", "Gesatop 50", "Tafazine 50-W", "Cekuzina-S", "Primatel S", "6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine", "CAT (herbicide)", "Yrodazin", "Azotop", "Simatsin-neste", "Herbatoxol S", "Triazine A 384", "Geigy 27,692"

Source: simazine is an herbicide used to control broad-leaf weeds and annual grasses in crop fields such as fruit orchards.

Identifiers:

IUPAC Name: 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CAS Number: 122-34-9
PubChem ID: 5216
InChiKey: ODCWYMIRDDJXKW-UHFFFAOYSA-N
Canonical SMILES: CCNC1=NC(=NC(=N1)Cl)NCC

Structural Properties:

Molecular Formula: C₇H₁₂ClN₅
Molecular Weight: 201,660

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 13

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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