(2S)-N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-methyl-propanamide

Systemtic Name: (2S)-N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-methyl-propanamide Openeye Name: (2S)-N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-propanamide CAS Name: (2S)-N-(2-cyanoethyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-methylpropanamide IUPAC Name: (2S)-N-(2-cyanoethyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-methylpropanamide Traditional Name: (2S)-N-(2-cyanoethyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-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)N1C3CC3

Isomeric SMILES

C[C@@H](C(=O)N(C)CCC#N)SC1=NC2=CC=CC=C2C(=O)N1C3CC3

InChI

InChI=1S/C18H20N4O2S/c1-12(16(23)21(2)11-5-10-19)25-18-20-15-7-4-3-6-14(15)17(24)22(18)13-8-9-13/h3-4,6-7,12-13H,5,8-9,11H2,1-2H3/t12-/m0/s1