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

Systemtic Name: 2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone Openeye Name: 2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]-1-[4-(1-piperidyl)-1-piperidyl]ethanone CAS Name: 2-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]-1-[4-(1-piperidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone Traditional Name: 2-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]-1-(4-piperidinopiperidino)ethanone Formula: C31H46N8O2S MolecularWeight: 594.81434

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)CC(=O)N5CCC(CC5)N6CCCCC6

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)CC(=O)N5CCC(CC5)N6CCCCC6

InChI

InChI=1S/C31H46N8O2S/c1-42-31-33-28(32-25-5-7-26(8-6-25)37-19-21-41-22-20-37)23-29(34-31)38-17-15-35(16-18-38)24-30(40)39-13-9-27(10-14-39)36-11-3-2-4-12-36/h5-8,23,27H,2-4,9-22,24H2,1H3,(H,32,33,34)