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

Systemtic Name: 2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone Openeye Name: 2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-morpholino-1-piperidyl)ethanone CAS Name: 2-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]-1-[4-(4-morpholinyl)-1-piperidinyl]ethanone IUPAC Name: 2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone Traditional Name: 2-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]-1-(4-morpholinopiperidino)ethanone Formula: C30H44N8O3S MolecularWeight: 596.78716

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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)N6CCOCC6

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)CC(=O)N5CCC(CC5)N6CCOCC6

InChI

InChI=1S/C30H44N8O3S/c1-42-30-32-27(31-24-2-4-25(5-3-24)35-14-18-40-19-15-35)22-28(33-30)37-12-10-34(11-13-37)23-29(39)38-8-6-26(7-9-38)36-16-20-41-21-17-36/h2-5,22,26H,6-21,23H2,1H3,(H,31,32,33)