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

Systemtic Name: 3-(4-fluorophenyl)-7-morpholin-4-ylcarbonyl-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(4-fluorophenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-7-[4-morpholinyl(oxo)methyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(4-fluorophenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(4-fluorophenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C26H22FN3O3S MolecularWeight: 475.534583

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H22FN3O3S/c27-20-7-9-21(10-8-20)30-25(32)22-11-6-19(24(31)29-12-14-33-15-13-29)16-23(22)28-26(30)34-17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2