2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 2-[(2-bromo-4,5-dimethoxy-benzyl)thio]-3-(3-ethoxypropyl)quinazolin-4-one Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C22H25BrN2O4S/c1-4-29-11-7-10-25-21(26)16-8-5-6-9-18(16)24-22(25)30-14-15-12-19(27-2)20(28-3)13-17(15)23/h5-6,8-9,12-13H,4,7,10-11,14H2,1-3H3