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

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[2-(N-isopropylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(N-isopropylanilino)-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)N(C2=CC=CC=C2)C(C)C)[O-]

Isomeric SMILES

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

InChI

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