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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C27H24FN3O3S MolecularWeight: 489.561163

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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)N4CCCC4)N=C2SCC5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCC4)N=C2SCC5=CC=C(C=C5)F

InChI

InChI=1S/C27H24FN3O3S/c1-34-22-11-9-21(10-12-22)31-26(33)23-13-6-19(25(32)30-14-2-3-15-30)16-24(23)29-27(31)35-17-18-4-7-20(28)8-5-18/h4-13,16H,2-3,14-15,17H2,1H3