5-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-furan-2-carboxamide

Systemtic Name: 5-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-yl-furan-2-carboxamide Openeye Name: 5-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-morpholino-furan-2-carboxamide CAS Name: 5-[[[4-tert-butyl-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-(4-morpholinyl)-2-furancarboxamide IUPAC Name: 5-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-morpholin-4-ylfuran-2-carboxamide Traditional Name: 5-[[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-morpholino-2-furamide Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1)C(C)(C)C)SCC2=CC=C(O2)C(=O)NN3CCOCC3

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(C)(C)C)SCC2=CC=C(O2)C(=O)NN3CCOCC3

InChI

InChI=1S/C22H33N5O3S/c1-6-26(7-2)19-14-18(22(3,4)5)23-21(24-19)31-15-16-8-9-17(30-16)20(28)25-27-10-12-29-13-11-27/h8-9,14H,6-7,10-13,15H2,1-5H3,(H,25,28)