N-[(4-fluorophenyl)methyl]-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[3-(1-methoxypropan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxy-1-methyl-ethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[3-(1-methoxypropan-2-yl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-fluorobenzyl)-2-[[4-keto-3-(2-methoxy-1-methyl-ethyl)quinazolin-2-yl]thio]acetamide Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)F

InChI

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