N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[2-(2-furanyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[[2-(2-furyl)quinazolin-4-yl]thio]acetamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CO3

InChI

InChI=1S/C20H20N4O2S/c1-13(2)20(3,12-21)24-17(25)11-27-19-14-7-4-5-8-15(14)22-18(23-19)16-9-6-10-26-16/h4-10,13H,11H2,1-3H3,(H,24,25)/t20-/m1/s1