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

Systemtic Name: N-methyl-2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanamide Openeye Name: N-methyl-2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]acetamide CAS Name: N-methyl-2-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]acetamide IUPAC Name: N-methyl-2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]acetamide Traditional Name: N-methyl-2-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]acetamide Formula: C22H31N7O2S MolecularWeight: 457.59224

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1CCN(CC1)C2=CC(=NC(=N2)SC)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CNC(=O)CN1CCN(CC1)C2=CC(=NC(=N2)SC)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H31N7O2S/c1-23-21(30)16-27-7-9-29(10-8-27)20-15-19(25-22(26-20)32-2)24-17-3-5-18(6-4-17)28-11-13-31-14-12-28/h3-6,15H,7-14,16H2,1-2H3,(H,23,30)(H,24,25,26)