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

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[(3-fluoro-4-methoxyphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(3-fluoro-4-methoxy-benzyl)thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C20H21FN2O2S MolecularWeight: 372.456343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C20H21FN2O2S/c1-4-13(2)23-19(24)15-7-5-6-8-17(15)22-20(23)26-12-14-9-10-18(25-3)16(21)11-14/h5-11,13H,4,12H2,1-3H3/t13-/m0/s1