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

Systemtic Name: 2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]-1-piperidino-ethanone Formula: C26H37N7O2S MolecularWeight: 511.68268

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)CC(=O)N5CCCCC5

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)CC(=O)N5CCCCC5

InChI

InChI=1S/C26H37N7O2S/c1-36-26-28-23(27-21-5-7-22(8-6-21)31-15-17-35-18-16-31)19-24(29-26)32-13-11-30(12-14-32)20-25(34)33-9-3-2-4-10-33/h5-8,19H,2-4,9-18,20H2,1H3,(H,27,28,29)