(2S)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCCO

Isomeric SMILES

C[C@@H](C(=O)N[C@](C)(C#N)C(C)C)SC1=NC2=CC=CC=C2C(=O)N1CCCO

InChI

InChI=1S/C20H26N4O3S/c1-13(2)20(4,12-21)23-17(26)14(3)28-19-22-16-9-6-5-8-15(16)18(27)24(19)10-7-11-25/h5-6,8-9,13-14,25H,7,10-11H2,1-4H3,(H,23,26)/t14-,20+/m0/s1