2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C16H19N2O2S- MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=CC(=N4)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=CC(=N4)[O-]

InChI

InChI=1S/C16H20N2O2S/c19-13(9-21-15-17-2-1-14(20)18-15)16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12H,3-9H2,(H,17,18,20)/p-1