2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-ethyl-5-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-6-ethyl-5-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-ethyl-5-methylpyrimidin-4-olate Traditional Name: 2-[[2-(3,5-dimethylanilino)-2-keto-ethyl]thio]-6-ethyl-5-methyl-pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC(=CC(=C2)C)C)[O-])C

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=CC(=CC(=C2)C)C)[O-])C

InChI

InChI=1S/C17H21N3O2S/c1-5-14-12(4)16(22)20-17(19-14)23-9-15(21)18-13-7-10(2)6-11(3)8-13/h6-8H,5,9H2,1-4H3,(H,18,21)(H,19,20,22)/p-1