2-[3-[3-(dimethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[3-[3-(dimethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[3-[3-(dimethylamino)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide CAS Name: 2-[[3-[3-(dimethylamino)propyl]-4-oxo-2-quinazolinyl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[3-[3-(dimethylamino)propyl]-4-keto-quinazolin-2-yl]thio]-N-(3-fluorophenyl)acetamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CN(C)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN4O2S/c1-25(2)11-6-12-26-20(28)17-9-3-4-10-18(17)24-21(26)29-14-19(27)23-16-8-5-7-15(22)13-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,23,27)