2-[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-bromo-2,3-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H15BrN3O2S- MolecularWeight: 381.2675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(C=C2)Br)C)C)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(C=C2)Br)C)C)[O-]

InChI

InChI=1S/C15H16BrN3O2S/c1-8-6-13(20)19-15(17-8)22-7-14(21)18-12-5-4-11(16)9(2)10(12)3/h4-6H,7H2,1-3H3,(H,18,21)(H,17,19,20)/p-1