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

Systemtic Name: [4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]-(4-pyridyl)methanone Formula: C25H29N7O2S MolecularWeight: 491.60846

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)C(=O)C5=CC=NC=C5

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)N3CCOCC3)N4CCN(CC4)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C25H29N7O2S/c1-35-25-28-22(27-20-2-4-21(5-3-20)30-14-16-34-17-15-30)18-23(29-25)31-10-12-32(13-11-31)24(33)19-6-8-26-9-7-19/h2-9,18H,10-17H2,1H3,(H,27,28,29)