2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetamide Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC#N

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCC#N

InChI

InChI=1S/C17H20N4O2S/c1-3-12(2)21-16(23)13-7-4-5-8-14(13)20-17(21)24-11-15(22)19-10-6-9-18/h4-5,7-8,12H,3,6,10-11H2,1-2H3,(H,19,22)/t12-/m0/s1