2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3-(3-fluorophenyl)-7-[4-morpholinyl(oxo)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C26H21ClFN3O3S MolecularWeight: 509.979643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4Cl)C5=CC(=CC=C5)F

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4Cl)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H21ClFN3O3S/c27-22-7-2-1-4-18(22)16-35-26-29-23-14-17(24(32)30-10-12-34-13-11-30)8-9-21(23)25(33)31(26)20-6-3-5-19(28)15-20/h1-9,14-15H,10-13,16H2