2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-(3-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-3-(3-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-3-(3-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[(3-fluoro-4-methoxyphenyl)methylthio]-3-(3-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-3-(3-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-3-(3-methyl-2-pyridyl)quinazolin-4-one Formula: C22H18FN3O2S MolecularWeight: 407.460623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=C(N=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C22H18FN3O2S/c1-14-6-5-11-24-20(14)26-21(27)16-7-3-4-8-18(16)25-22(26)29-13-15-9-10-19(28-2)17(23)12-15/h3-12H,13H2,1-2H3