2-[(2-propylquinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-[(2-propylquinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(2-propylquinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[(2-propyl-4-quinazolinyl)thio]methyl]-3-[2-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(2-propylquinazolin-4-yl)sulfanylmethyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[(2-propylquinazolin-4-yl)thio]methyl]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C27H21F3N4OS MolecularWeight: 506.54205

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=N1)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C27H21F3N4OS/c1-2-9-23-31-20-13-6-3-10-17(20)25(33-23)36-16-24-32-21-14-7-4-11-18(21)26(35)34(24)22-15-8-5-12-19(22)27(28,29)30/h3-8,10-15H,2,9,16H2,1H3