2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-(3-ethoxypropyl)quinazolin-4-one Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C21H21BrN2O4S/c1-2-26-9-5-8-24-20(25)15-6-3-4-7-17(15)23-21(24)29-12-14-10-18-19(11-16(14)22)28-13-27-18/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3