3-(3,5-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(2-fluorophenyl)methylthio]-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(2-fluorobenzyl)thio]-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C28H26FN3O2S MolecularWeight: 487.588343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC=CC=C5F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC=CC=C5F)C

InChI

InChI=1S/C28H26FN3O2S/c1-18-13-19(2)15-22(14-18)32-27(34)23-10-9-20(26(33)31-11-5-6-12-31)16-25(23)30-28(32)35-17-21-7-3-4-8-24(21)29/h3-4,7-10,13-16H,5-6,11-12,17H2,1-2H3