(2R)-N-(2-cyanoethyl)-N-methyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-methyl-propionamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)SC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)SC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C18H20N4O2S/c1-4-11-22-17(24)14-8-5-6-9-15(14)20-18(22)25-13(2)16(23)21(3)12-7-10-19/h4-6,8-9,13H,1,7,11-12H2,2-3H3/t13-/m1/s1