(2-methylsulfanylphenyl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: [2-(methylthio)phenyl]-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[4-(6-morpholinopyrimidin-4-yl)piperazino]methanone Formula: C20H25N5O2S MolecularWeight: 399.5098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=NC=N3)N4CCOCC4

InChI

InChI=1S/C20H25N5O2S/c1-28-17-5-3-2-4-16(17)20(26)25-8-6-23(7-9-25)18-14-19(22-15-21-18)24-10-12-27-13-11-24/h2-5,14-15H,6-13H2,1H3