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

Systemtic Name: 1-[4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[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=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

Isomeric SMILES

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

InChI

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