1-(azepan-1-yl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(6-piperidinopyrimidin-4-yl)thio]ethanone Formula: C17H26N4OS MolecularWeight: 334.47954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCCCC3

InChI

InChI=1S/C17H26N4OS/c22-17(21-10-4-1-2-5-11-21)13-23-16-12-15(18-14-19-16)20-8-6-3-7-9-20/h12,14H,1-11,13H2