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

Systemtic Name: 2-[6-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[6-methyl-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[6-methyl-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-pyrimidinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[6-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-6-methyl-pyrimidin-4-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C21H32N4O2S2 MolecularWeight: 436.63438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC(=NC(=C2)C)SCC(=O)N3CCC(CC3)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC(=NC(=C2)C)SCC(=O)N3CCC(CC3)C

InChI

InChI=1S/C21H32N4O2S2/c1-15-4-8-24(9-5-15)19(26)13-28-18-12-17(3)22-21(23-18)29-14-20(27)25-10-6-16(2)7-11-25/h12,15-16H,4-11,13-14H2,1-3H3