3-(4-fluorophenyl)-2-(phenylmethylsulfanyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-(phenylmethylsulfanyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-7-[oxo(1-pyrrolidinyl)methyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C26H22FN3O2S MolecularWeight: 459.535183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H22FN3O2S/c27-20-9-11-21(12-10-20)30-25(32)22-13-8-19(24(31)29-14-4-5-15-29)16-23(22)28-26(30)33-17-18-6-2-1-3-7-18/h1-3,6-13,16H,4-5,14-15,17H2