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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCC4)C(=O)N2C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCCC4)C(=O)N2C5=CC=C(C=C5)F

InChI

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