N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C21H19FN4O2S MolecularWeight: 410.464563

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FN4O2S/c1-25(12-4-11-23)19(27)14-29-21-24-18-6-3-2-5-17(18)20(28)26(21)13-15-7-9-16(22)10-8-15/h2-3,5-10H,4,12-14H2,1H3