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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(2-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(2-fluorobenzyl)thio]-3-(4-methoxyphenyl)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C28H26FN3O3S MolecularWeight: 503.587743

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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=CC=CC=C5F

Isomeric SMILES

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

InChI

InChI=1S/C28H26FN3O3S/c1-35-22-12-10-21(11-13-22)32-27(34)23-14-9-19(26(33)31-15-5-2-6-16-31)17-25(23)30-28(32)36-18-20-7-3-4-8-24(20)29/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3