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

Systemtic Name: 1-tert-butyl-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]urea Openeye Name: 1-tert-butyl-3-[4-[4-(methylsulfonylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]urea CAS Name: 1-tert-butyl-3-[4-[4-(methylsulfonylmethyl)-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]urea IUPAC Name: 1-tert-butyl-3-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea Traditional Name: 1-tert-butyl-3-[4-[4-(mesylmethyl)-6-morpholino-pyrimidin-2-yl]phenyl]urea Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4S/c1-21(2,3)25-20(27)23-16-7-5-15(6-8-16)19-22-17(14-31(4,28)29)13-18(24-19)26-9-11-30-12-10-26/h5-8,13H,9-12,14H2,1-4H3,(H2,23,25,27)