2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2,6-diethylanilino)-2-oxo-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2,6-diethylanilino)-2-oxoethyl]thio]-6-ethyl-5-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-6-ethyl-5-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2,6-diethylanilino)-2-keto-ethyl]thio]-6-ethyl-5-methyl-pyrimidin-4-olate Formula: C19H24N3O2S- MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=C(C(=N2)[O-])C)CC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC(=C(C(=N2)[O-])C)CC

InChI

InChI=1S/C19H25N3O2S/c1-5-13-9-8-10-14(6-2)17(13)21-16(23)11-25-19-20-15(7-3)12(4)18(24)22-19/h8-10H,5-7,11H2,1-4H3,(H,21,23)(H,20,22,24)/p-1