1-[3-cyclopropyl-4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]urea

Systemtic Name: 1-[3-cyclopropyl-4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]urea Openeye Name: [3-cyclopropyl-4-[4-(methylsulfonylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]urea CAS Name: [3-cyclopropyl-4-[4-(methylsulfonylmethyl)-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]urea IUPAC Name: [3-cyclopropyl-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea Traditional Name: [3-cyclopropyl-4-[4-(mesylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]urea Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC(=NC(=N1)C2=C(C=C(C=C2)NC(=O)N)C3CC3)N4CCOCC4

Isomeric SMILES

CS(=O)(=O)CC1=CC(=NC(=N1)C2=C(C=C(C=C2)NC(=O)N)C3CC3)N4CCOCC4

InChI

InChI=1S/C20H25N5O4S/c1-30(27,28)12-15-11-18(25-6-8-29-9-7-25)24-19(22-15)16-5-4-14(23-20(21)26)10-17(16)13-2-3-13/h4-5,10-11,13H,2-3,6-9,12H2,1H3,(H3,21,23,26)