2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[3-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[3-(3-fluoro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide CAS Name: 2-[[3-(3-fluoro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide Traditional Name: 2-[[3-(3-fluoro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-methoxypropyl)acetamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCCOC)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCCCOC)F

InChI

InChI=1S/C21H22FN3O3S/c1-14-8-9-15(12-17(14)22)25-20(27)16-6-3-4-7-18(16)24-21(25)29-13-19(26)23-10-5-11-28-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,23,26)