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

Systemtic Name: 2-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-isopropylanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(2-isopropylanilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C21H20N3O2S- MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-14(2)16-10-6-7-11-17(16)22-20(26)13-27-21-23-18(12-19(25)24-21)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,22,26)(H,23,24,25)/p-1