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

Systemtic Name: 2-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=CC(=N2)[O-])C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=CC(=N2)[O-])C)C

InChI

InChI=1S/C16H19N3O2S/c1-4-12-7-5-6-10(2)15(12)18-14(21)9-22-16-17-11(3)8-13(20)19-16/h5-8H,4,9H2,1-3H3,(H,18,21)(H,17,19,20)/p-1