N-(1-cyanocyclopentyl)-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c23-15-22(12-6-7-13-22)27-19(28)14-29-21-25-18-11-5-4-10-17(18)20(26-21)24-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-14H2,(H,27,28)(H,24,25,26)