2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c19-12(8-22-15-17-13(20)4-14(21)18-15)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,9-11H,1-3,5-8H2,(H2,17,18,20,21)