2-cyano-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]ethanamide

Systemtic Name: 2-cyano-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]ethanamide Openeye Name: 2-cyano-N-[4-[4-(methylsulfonylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]acetamide CAS Name: 2-cyano-N-[4-[4-(methylsulfonylmethyl)-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]acetamide IUPAC Name: 2-cyano-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide Traditional Name: 2-cyano-N-[4-[4-(mesylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]acetamide Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC(=NC(=N1)C2=CC=C(C=C2)NC(=O)CC#N)N3CCOCC3

Isomeric SMILES

CS(=O)(=O)CC1=CC(=NC(=N1)C2=CC=C(C=C2)NC(=O)CC#N)N3CCOCC3

InChI

InChI=1S/C19H21N5O4S/c1-29(26,27)13-16-12-17(24-8-10-28-11-9-24)23-19(22-16)14-2-4-15(5-3-14)21-18(25)6-7-20/h2-5,12H,6,8-11,13H2,1H3,(H,21,25)