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

Systemtic Name: 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one Openeye Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-[(2-methoxyphenyl)methyl]-4-quinazolinone IUPAC Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-[(2-methoxyphenyl)methyl]quinazolin-4-one Traditional Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3-o-anisyl-quinazolin-4-one Formula: C25H21FN2O4S MolecularWeight: 464.508643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)F)COCO5

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3N=C2SCC4=C5C(=CC(=C4)F)COCO5

InChI

InChI=1S/C25H21FN2O4S/c1-30-22-9-5-2-6-16(22)12-28-24(29)20-7-3-4-8-21(20)27-25(28)33-14-18-11-19(26)10-17-13-31-15-32-23(17)18/h2-11H,12-15H2,1H3