2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C20H19BrN2O4S/c21-15-11-18-17(26-8-9-27-18)10-13(15)12-28-20-22-16-5-2-1-4-14(16)19(25)23(20)6-3-7-24/h1-2,4-5,10-11,24H,3,6-9,12H2