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

Systemtic Name: 2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-1-thiomorpholin-4-yl-ethanone Openeye Name: 2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]-1-thiomorpholino-ethanone CAS Name: 2-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]-1-thiomorpholin-4-ylethanone IUPAC Name: 2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-1-thiomorpholin-4-ylethanone Traditional Name: 2-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]-1-thiomorpholino-ethanone Formula: C25H35N7O2S2 MolecularWeight: 529.7211

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)CC(=O)N5CCSCC5

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)CC(=O)N5CCSCC5

InChI

InChI=1S/C25H35N7O2S2/c1-35-25-27-22(26-20-2-4-21(5-3-20)30-10-14-34-15-11-30)18-23(28-25)31-8-6-29(7-9-31)19-24(33)32-12-16-36-17-13-32/h2-5,18H,6-17,19H2,1H3,(H,26,27,28)