2,2-dimethyl-N'-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]propanediamide

Systemtic Name: 2,2-dimethyl-N'-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]propanediamide Openeye Name: 2,2-dimethyl-N'-[4-[4-(methylsulfonylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]propanediamide CAS Name: 2,2-dimethyl-N'-[4-[4-(methylsulfonylmethyl)-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]propanediamide IUPAC Name: 2,2-dimethyl-N'-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]propanediamide Traditional Name: N'-[4-[4-(mesylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]-2,2-dimethyl-malonamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)C(=O)NC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCOCC3)CS(=O)(=O)C

Isomeric SMILES

CC(C)(C(=O)N)C(=O)NC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCOCC3)CS(=O)(=O)C

InChI

InChI=1S/C21H27N5O5S/c1-21(2,19(22)27)20(28)24-15-6-4-14(5-7-15)18-23-16(13-32(3,29)30)12-17(25-18)26-8-10-31-11-9-26/h4-7,12H,8-11,13H2,1-3H3,(H2,22,27)(H,24,28)