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

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[(2-cumidino-2-keto-ethyl)thio]-6-methyl-pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(C)C)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(C)C)[O-]

InChI

InChI=1S/C16H19N3O2S/c1-10(2)12-4-6-13(7-5-12)18-15(21)9-22-16-17-11(3)8-14(20)19-16/h4-8,10H,9H2,1-3H3,(H,18,21)(H,17,19,20)/p-1