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

Systemtic Name: 3-(3-fluorophenyl)-7-morpholin-4-ylcarbonyl-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 3-(3-fluorophenyl)-7-[4-morpholinyl(oxo)methyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(3-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(=CC=C5)F

Isomeric SMILES

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

InChI

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