2-(3,5-dimethylphenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethylphenoxy)-1-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethylphenoxy)-1-[4-(6-morpholinopyrimidin-4-yl)piperazino]ethanone Formula: C22H29N5O3 MolecularWeight: 411.49736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4)C

InChI

InChI=1S/C22H29N5O3/c1-17-11-18(2)13-19(12-17)30-15-22(28)27-5-3-25(4-6-27)20-14-21(24-16-23-20)26-7-9-29-10-8-26/h11-14,16H,3-10,15H2,1-2H3