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

Systemtic Name: 2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-1-piperazin-1-yl-ethanone Openeye Name: 2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]-1-piperazin-1-yl-ethanone CAS Name: 2-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]-1-(1-piperazinyl)ethanone IUPAC Name: 2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-1-piperazin-1-ylethanone Traditional Name: 2-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]-1-piperazino-ethanone Formula: C25H36N8O2S MolecularWeight: 512.67074

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)CC(=O)N5CCNCC5

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)CC(=O)N5CCNCC5

InChI

InChI=1S/C25H36N8O2S/c1-36-25-28-22(27-20-2-4-21(5-3-20)31-14-16-35-17-15-31)18-23(29-25)32-12-10-30(11-13-32)19-24(34)33-8-6-26-7-9-33/h2-5,18,26H,6-17,19H2,1H3,(H,27,28,29)