2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(3,5-dimethylphenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(3,5-dimethylphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C29H27ClFN3O2S MolecularWeight: 536.059983

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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=C(C=CC=C5Cl)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=C(C=CC=C5Cl)F)C

InChI

InChI=1S/C29H27ClFN3O2S/c1-18-13-19(2)15-21(14-18)34-28(36)22-10-9-20(27(35)33-11-4-3-5-12-33)16-26(22)32-29(34)37-17-23-24(30)7-6-8-25(23)31/h6-10,13-16H,3-5,11-12,17H2,1-2H3