N-(2-cyanoethyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(ethylamino)-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-(ethylamino)quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS/c1-2-23-20-17-11-6-7-12-18(17)24-21(25-20)28-15-19(27)26(14-8-13-22)16-9-4-3-5-10-16/h3-7,9-12H,2,8,14-15H2,1H3,(H,23,24,25)