2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-morpholin-4-yl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-morpholin-4-yl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-morpholino-quinazolin-4-one CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-6-(4-morpholinyl)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-6-morpholin-4-ylquinazolin-4-one Traditional Name: 3-benzyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-6-morpholino-quinazolin-4-one Formula: C28H26FN3O4S MolecularWeight: 519.587143

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=C6C(=CC(=C5)F)COCO6

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=C6C(=CC(=C5)F)COCO6

InChI

InChI=1S/C28H26FN3O4S/c29-22-12-20-16-35-18-36-26(20)21(13-22)17-37-28-30-25-7-6-23(31-8-10-34-11-9-31)14-24(25)27(33)32(28)15-19-4-2-1-3-5-19/h1-7,12-14H,8-11,15-18H2