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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCC4)C(=O)N2C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCC4)C(=O)N2C5=CC=C(C=C5)F

InChI

InChI=1S/C28H26FN3O2S/c1-18-5-6-19(2)21(15-18)17-35-28-30-25-16-20(26(33)31-13-3-4-14-31)7-12-24(25)27(34)32(28)23-10-8-22(29)9-11-23/h5-12,15-16H,3-4,13-14,17H2,1-2H3