3-[3-(dimethylamino)propyl]-2-[2-(3-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[3-(dimethylamino)propyl]-2-[2-(3-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[3-(dimethylamino)propyl]-2-[2-(3-fluorophenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[3-(dimethylamino)propyl]-2-[[2-(3-fluorophenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[3-(dimethylamino)propyl]-2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-[3-(dimethylamino)propyl]-2-[[2-(3-fluorophenyl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O2S/c1-24(2)11-6-12-25-20(27)17-9-3-4-10-18(17)23-21(25)28-14-19(26)15-7-5-8-16(22)13-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3