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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC=CC=C5F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC=CC=C5F)C

InChI

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