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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-[4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-[4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-(4-ethylpiperazino)-2-[4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]ethanone Formula: C27H40N8O2S MolecularWeight: 540.7239

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC(=NC(=N3)SC)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CCN1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC(=NC(=N3)SC)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C27H40N8O2S/c1-3-31-8-14-35(15-9-31)26(36)21-32-10-12-34(13-11-32)25-20-24(29-27(30-25)38-2)28-22-4-6-23(7-5-22)33-16-18-37-19-17-33/h4-7,20H,3,8-19,21H2,1-2H3,(H,28,29,30)