1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethanone Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-16-13-21(19-9-6-5-7-10-19)25-23(24-16)29-15-22(27)20-14-17(2)26(18(20)3)11-8-12-28-4/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3