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

Systemtic Name: 2-[2-[ethyl-(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(N-ethyl-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(N-ethyl-3-methyl-anilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C21H20N3O2S- MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-3-24(17-11-7-8-15(2)12-17)20(26)14-27-21-22-18(13-19(25)23-21)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,22,23,25)/p-1