3-acetamido-2-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]propanamide

Systemtic Name: 3-acetamido-2-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]propanamide Openeye Name: 3-acetamido-2-[4-[4-(methylsulfonylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]propanamide CAS Name: 3-acetamido-2-[4-[4-(methylsulfonylmethyl)-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]propanamide IUPAC Name: 3-acetamido-2-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]propanamide Traditional Name: 3-acetamido-2-[4-[4-(mesylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]propionamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O5S/c1-14(27)23-12-18(20(22)28)15-3-5-16(6-4-15)21-24-17(13-32(2,29)30)11-19(25-21)26-7-9-31-10-8-26/h3-6,11,18H,7-10,12-13H2,1-2H3,(H2,22,28)(H,23,27)