1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone

Systemtic Name: 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone Openeye Name: 2-(4-isopropylsulfanylphenyl)-1-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]-2-[4-(propan-2-ylthio)phenyl]ethanone IUPAC Name: 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone Traditional Name: 2-[4-(isopropylthio)phenyl]-1-[4-(6-morpholinopyrimidin-4-yl)piperazino]ethanone Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

InChI

InChI=1S/C23H31N5O2S/c1-18(2)31-20-5-3-19(4-6-20)15-23(29)28-9-7-26(8-10-28)21-16-22(25-17-24-21)27-11-13-30-14-12-27/h3-6,16-18H,7-15H2,1-2H3