1-[3-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(6-morpholinopyrimidin-4-yl)piperazino]sulfonylphenyl]ethanone Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

InChI

InChI=1S/C20H25N5O4S/c1-16(26)17-3-2-4-18(13-17)30(27,28)25-7-5-23(6-8-25)19-14-20(22-15-21-19)24-9-11-29-12-10-24/h2-4,13-15H,5-12H2,1H3