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

Systemtic Name: 2-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H17BrN3O2S- MolecularWeight: 395.29408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)Br)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)Br)C)[O-]

InChI

InChI=1S/C16H18BrN3O2S/c1-3-4-11-8-14(21)20-16(19-11)23-9-15(22)18-12-5-6-13(17)10(2)7-12/h5-8H,3-4,9H2,1-2H3,(H,18,22)(H,19,20,21)/p-1