N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-22(14-23,15-11-12-15)27-19(28)13-29-21-25-18-10-6-5-9-17(18)20(26-21)24-16-7-3-2-4-8-16/h2-10,15H,11-13H2,1H3,(H,27,28)(H,24,25,26)/t22-/m0/s1