1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-pyrimidylthio)ethanone Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC=CC=N2

Isomeric SMILES

CC1=CC(=C(N1C(C)COC)C)C(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C16H21N3O2S/c1-11-8-14(13(3)19(11)12(2)9-21-4)15(20)10-22-16-17-6-5-7-18-16/h5-8,12H,9-10H2,1-4H3