2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]ethanamide

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-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-[(1S)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]acetamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C20H24N4O2S/c1-4-13(2)24-18(26)15-7-5-6-8-16(15)22-19(24)27-11-17(25)23-20(3,12-21)14-9-10-14/h5-8,13-14H,4,9-11H2,1-3H3,(H,23,25)/t13-,20+/m0/s1