N-(2-cyano-3-methyl-butan-2-yl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]propionamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3

InChI

InChI=1S/C22H28N4O3S/c1-14(2)22(4,13-23)25-19(27)15(3)30-21-24-18-10-6-5-9-17(18)20(28)26(21)12-16-8-7-11-29-16/h5-6,9-10,14-16H,7-8,11-12H2,1-4H3,(H,25,27)