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

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

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3)C

InChI

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