2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[6-(2,6-dimethylmorpholino)pyrimidin-4-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C22H29N5O2S MolecularWeight: 427.56296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2S/c1-17-13-27(14-18(2)29-17)20-12-21(24-16-23-20)30-15-22(28)26-10-8-25(9-11-26)19-6-4-3-5-7-19/h3-7,12,16-18H,8-11,13-15H2,1-2H3