5-cyano-2-[(2S)-1-oxidanylidene-1-propoxy-propan-2-yl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-[(2S)-1-oxidanylidene-1-propoxy-propan-2-yl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 5-cyano-2-[(1S)-1-methyl-2-oxo-2-propoxy-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 5-cyano-2-[[(2S)-1-oxo-1-propoxypropan-2-yl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 5-cyano-2-[(2S)-1-oxo-1-propoxypropan-2-yl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[(1S)-2-keto-1-methyl-2-propoxy-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C17H16N3O3S- MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)SC1=NC(=C(C(=N1)[O-])C#N)C2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)[C@H](C)SC1=NC(=C(C(=N1)[O-])C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3S/c1-3-9-23-16(22)11(2)24-17-19-14(12-7-5-4-6-8-12)13(10-18)15(21)20-17/h4-8,11H,3,9H2,1-2H3,(H,19,20,21)/p-1/t11-/m0/s1