2-[4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-methyl-6-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-methyl-6-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-2-pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-6-methyl-pyrimidin-2-yl]thio]-1-phenyl-ethanone Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=NC(=C2)C)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=NC(=C2)C)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S2/c1-15-8-10-24(11-9-15)20(26)14-27-19-12-16(2)22-21(23-19)28-13-18(25)17-6-4-3-5-7-17/h3-7,12,15H,8-11,13-14H2,1-2H3