2-[7-chloranyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-[(2R)-2-cyano-3-methyl-butan-2-yl]ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-[(2R)-2-cyano-3-methyl-butan-2-yl]ethanamide Openeye Name: 2-[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: 2-[[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[7-chloro-3-[(2S)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-[[7-chloro-3-[(2S)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C19H23ClN4O3S MolecularWeight: 422.92892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC(C)O

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N[C@@](C)(C#N)C(C)C)O

InChI

InChI=1S/C19H23ClN4O3S/c1-11(2)19(4,10-21)23-16(26)9-28-18-22-15-7-13(20)5-6-14(15)17(27)24(18)8-12(3)25/h5-7,11-12,25H,8-9H2,1-4H3,(H,23,26)/t12-,19-/m0/s1