6-(3-methylsulfonylphenyl)-2-morpholin-4-yl-N-pyridin-3-yl-pyrimidin-4-amine

Systemtic Name: 6-(3-methylsulfonylphenyl)-2-morpholin-4-yl-N-pyridin-3-yl-pyrimidin-4-amine Openeye Name: 6-(3-methylsulfonylphenyl)-2-morpholino-N-(3-pyridyl)pyrimidin-4-amine CAS Name: 6-(3-methylsulfonylphenyl)-2-(4-morpholinyl)-N-(3-pyridinyl)-4-pyrimidinamine IUPAC Name: 6-(3-methylsulfonylphenyl)-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine Traditional Name: [6-(3-mesylphenyl)-2-morpholino-pyrimidin-4-yl]-(3-pyridyl)amine Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCOCC3)NC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCOCC3)NC4=CN=CC=C4

InChI

InChI=1S/C20H21N5O3S/c1-29(26,27)17-6-2-4-15(12-17)18-13-19(22-16-5-3-7-21-14-16)24-20(23-18)25-8-10-28-11-9-25/h2-7,12-14H,8-11H2,1H3,(H,22,23,24)