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

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5OS/c1-25(13-7-12-21)18(26)14-27-20-23-17-11-6-5-10-16(17)19(24-20)22-15-8-3-2-4-9-15/h2-6,8-11H,7,13-14H2,1H3,(H,22,23,24)