2-[2,2-bis(chloranyl)-1-(2,2-dimethylpropanoylamino)ethenyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2,2-bis(chloranyl)-1-(2,2-dimethylpropanoylamino)ethenyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2,2-dichloro-1-(2,2-dimethylpropanoylamino)vinyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2,2-dichloro-1-[(2,2-dimethyl-1-oxopropyl)amino]ethenyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2,2-dichloro-1-(2,2-dimethylpropanoylamino)ethenyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2,2-dichloro-1-(pivaloylamino)vinyl]thio]-6-methyl-pyrimidin-4-olate Formula: C12H14Cl2N3O2S- MolecularWeight: 335.22946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(=C(Cl)Cl)NC(=O)C(C)(C)C)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SC(=C(Cl)Cl)NC(=O)C(C)(C)C)[O-]

InChI

InChI=1S/C12H15Cl2N3O2S/c1-6-5-7(18)16-11(15-6)20-9(8(13)14)17-10(19)12(2,3)4/h5H,1-4H3,(H,17,19)(H,15,16,18)/p-1