6-(1-adamantyl)-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-(1-adamantyl)-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-(1-adamantyl)-2-[2-(1-piperidyl)ethylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-(1-adamantyl)-2-[2-(1-piperidinyl)ethylthio]-1H-pyrimidin-4-one IUPAC Name: 6-(1-adamantyl)-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-(1-adamantyl)-2-(2-piperidinoethylthio)-1H-pyrimidin-4-one Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NC(=O)C=C(N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(CC1)CCSC2=NC(=O)C=C(N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H31N3OS/c25-19-11-18(21-12-15-8-16(13-21)10-17(9-15)14-21)22-20(23-19)26-7-6-24-4-2-1-3-5-24/h11,15-17H,1-10,12-14H2,(H,22,23,25)