1-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-ethanone Openeye Name: 2-hydroxy-1-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 2-hydroxy-1-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-hydroxy-1-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 2-hydroxy-1-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]ethanone Formula: C21H28N6O3S MolecularWeight: 444.55042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)C(=O)CO

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)C(=O)CO

InChI

InChI=1S/C21H28N6O3S/c1-31-21-23-18(14-19(24-21)26-6-8-27(9-7-26)20(29)15-28)22-16-2-4-17(5-3-16)25-10-12-30-13-11-25/h2-5,14,28H,6-13,15H2,1H3,(H,22,23,24)