2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H25N2O2S- MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)[O-]

InChI

InChI=1S/C19H26N2O2S/c1-2-3-15-7-17(23)21-18(20-15)24-11-16(22)19-8-12-4-13(9-19)6-14(5-12)10-19/h7,12-14H,2-6,8-11H2,1H3,(H,20,21,23)/p-1