3-(3-fluoranyl-4-methyl-phenyl)-2-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-2-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-2-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-fluoro-4-methylphenyl)-2-[[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-fluoro-4-methylphenyl)-2-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-2-[[(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl]thio]quinazolin-4-one Formula: C25H19FN4O2S MolecularWeight: 458.507363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C4=NC(=O)C5=CC=CC=C5N4)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C4=NC(=O)C5=CC=CC=C5N4)F

InChI

InChI=1S/C25H19FN4O2S/c1-14-11-12-16(13-19(14)26)30-24(32)18-8-4-6-10-21(18)28-25(30)33-15(2)22-27-20-9-5-3-7-17(20)23(31)29-22/h3-13,15H,1-2H3,(H,27,29,31)/t15-/m0/s1