1-[4-[6-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]pentan-1-one

Systemtic Name: 1-[4-[6-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-[6-chloro-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[6-chloro-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[6-chloro-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-yl]-2-methylpiperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[6-chloro-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidin-4-yl]-2-methyl-piperazino]pentan-1-one Formula: C21H32ClN5O2S MolecularWeight: 454.02908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCCCC3)Cl

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H32ClN5O2S/c1-3-4-8-19(28)27-12-11-26(14-16(27)2)18-13-17(22)23-21(24-18)30-15-20(29)25-9-6-5-7-10-25/h13,16H,3-12,14-15H2,1-2H3