2-[2-[[2,6-bis(bromanyl)-4-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[2,6-bis(bromanyl)-4-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,6-dibromo-4-methoxy-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,6-dibromo-4-methoxyanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,6-dibromo-4-methoxyanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2,6-dibromo-4-methoxy-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H12Br2N3O3S- MolecularWeight: 462.13638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2Br)OC)Br)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2Br)OC)Br)[O-]

InChI

InChI=1S/C14H13Br2N3O3S/c1-7-3-11(20)19-14(17-7)23-6-12(21)18-13-9(15)4-8(22-2)5-10(13)16/h3-5H,6H2,1-2H3,(H,18,21)(H,17,19,20)/p-1