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

Systemtic Name: 2-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(N-isopropylanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(N-isopropylanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N(C2=CC=CC=C2)C(C)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N(C2=CC=CC=C2)C(C)C)[O-]

InChI

InChI=1S/C18H23N3O2S/c1-4-8-14-11-16(22)20-18(19-14)24-12-17(23)21(13(2)3)15-9-6-5-7-10-15/h5-7,9-11,13H,4,8,12H2,1-3H3,(H,19,20,22)/p-1