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

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-(4-methylpiperazin-1-yl)-2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-(4-methyl-1-piperazinyl)-2-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-(4-methylpiperazino)-2-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]ethanone Formula: C26H38N8O2S MolecularWeight: 526.69732

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC(=NC(=N3)SC)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CN1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC(=NC(=N3)SC)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C26H38N8O2S/c1-30-7-11-34(12-8-30)25(35)20-31-9-13-33(14-10-31)24-19-23(28-26(29-24)37-2)27-21-3-5-22(6-4-21)32-15-17-36-18-16-32/h3-6,19H,7-18,20H2,1-2H3,(H,27,28,29)