1-(3-methoxyphenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(3-methoxyphenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(3-methoxyphenyl)-2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(3-methoxyphenyl)-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]ethanone IUPAC Name: 1-(3-methoxyphenyl)-2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(3-methoxyphenyl)-2-[(6-piperidinopyrimidin-4-yl)thio]ethanone Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=NC=NC(=C2)N3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=NC=NC(=C2)N3CCCCC3

InChI

InChI=1S/C18H21N3O2S/c1-23-15-7-5-6-14(10-15)16(22)12-24-18-11-17(19-13-20-18)21-8-3-2-4-9-21/h5-7,10-11,13H,2-4,8-9,12H2,1H3