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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C28H25ClFN3O3S MolecularWeight: 538.032803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=C(C=CC=C5Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C28H25ClFN3O3S/c1-36-20-11-9-19(10-12-20)33-27(35)21-13-8-18(26(34)32-14-3-2-4-15-32)16-25(21)31-28(33)37-17-22-23(29)6-5-7-24(22)30/h5-13,16H,2-4,14-15,17H2,1H3