2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(4-fluorobenzyl)acetamide Formula: C21H21ClFN3O2S MolecularWeight: 433.926743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21ClFN3O2S/c1-13(2)11-26-20(28)17-9-15(22)5-8-18(17)25-21(26)29-12-19(27)24-10-14-3-6-16(23)7-4-14/h3-9,13H,10-12H2,1-2H3,(H,24,27)