N-(2-cyanopropan-2-yl)-N-methyl-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-(2-cyanopropan-2-yl)-N-methylacetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS/c1-21(2,14-22)26(3)18(27)13-28-20-24-17-12-8-7-11-16(17)19(25-20)23-15-9-5-4-6-10-15/h4-12H,13H2,1-3H3,(H,23,24,25)