1-(1-adamantyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C18H22N4OS/c1-22-16-14(8-21-22)17(20-10-19-16)24-9-15(23)18-5-11-2-12(6-18)4-13(3-11)7-18/h8,10-13H,2-7,9H2,1H3