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

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[(3-fluorobenzyl)thio]-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C29H28FN3O2S MolecularWeight: 501.614923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC(=CC=C5)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC(=CC=C5)F)C

InChI

InChI=1S/C29H28FN3O2S/c1-19-13-20(2)15-24(14-19)33-28(35)25-10-9-22(27(34)32-11-4-3-5-12-32)17-26(25)31-29(33)36-18-21-7-6-8-23(30)16-21/h6-10,13-17H,3-5,11-12,18H2,1-2H3