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

Systemtic Name: 5-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-furan-2-carboxamide Openeye Name: 5-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-furan-2-carboxamide CAS Name: 5-[[[4-tert-butyl-6-(diethylamino)-2-pyrimidinyl]thio]methyl]-N-cyclopropyl-2-furancarboxamide IUPAC Name: 5-[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide Traditional Name: 5-[[[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-2-furamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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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)NC3CC3

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1)C(C)(C)C)SCC2=CC=C(O2)C(=O)NC3CC3

InChI

InChI=1S/C21H30N4O2S/c1-6-25(7-2)18-12-17(21(3,4)5)23-20(24-18)28-13-15-10-11-16(27-15)19(26)22-14-8-9-14/h10-12,14H,6-9,13H2,1-5H3,(H,22,26)