2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-morpholin-4-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(3-fluorophenyl)-7-[4-morpholinyl(oxo)methyl]-4-quinazolinone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C28H26FN3O3S MolecularWeight: 503.587743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C(=O)N2C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C(=O)N2C5=CC(=CC=C5)F

InChI

InChI=1S/C28H26FN3O3S/c1-18-6-7-19(2)21(14-18)17-36-28-30-25-15-20(26(33)31-10-12-35-13-11-31)8-9-24(25)27(34)32(28)23-5-3-4-22(29)16-23/h3-9,14-16H,10-13,17H2,1-2H3