2-(1-adamantylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(1-adamantylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-adamantylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(1-adamantylthio)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(1-adamantylthio)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H28N4OS/c25-18(23-4-6-24(7-5-23)19-21-2-1-3-22-19)14-26-20-11-15-8-16(12-20)10-17(9-15)13-20/h1-3,15-17H,4-14H2