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

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-(4-methyl-1-piperidyl)-2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-(4-methylpiperidino)-2-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]ethanone Formula: C27H39N7O2S MolecularWeight: 525.70926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC(=NC(=N3)SC)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC(=NC(=N3)SC)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C27H39N7O2S/c1-21-7-9-34(10-8-21)26(35)20-31-11-13-33(14-12-31)25-19-24(29-27(30-25)37-2)28-22-3-5-23(6-4-22)32-15-17-36-18-16-32/h3-6,19,21H,7-18,20H2,1-2H3,(H,28,29,30)