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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 3-(3,5-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-(3,5-dimethoxyphenyl)-2-[(2-fluorobenzyl)thio]-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C29H28FN3O4S MolecularWeight: 533.613723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC=CC=C5F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=CC=CC=C5F)OC

InChI

InChI=1S/C29H28FN3O4S/c1-36-22-15-21(16-23(17-22)37-2)33-28(35)24-11-10-19(27(34)32-12-6-3-7-13-32)14-26(24)31-29(33)38-18-20-8-4-5-9-25(20)30/h4-5,8-11,14-17H,3,6-7,12-13,18H2,1-2H3