[4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[2-methylsulfanyl-6-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[2-methylsulfanyl-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[2-(methylthio)-6-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[2-methylsulfanyl-6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[2-(methylthio)-6-(4-morpholinoanilino)pyrimidin-4-yl]piperazino]-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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