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

Systemtic Name: 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[(4-bromo-2,5-dimethoxy-benzyl)thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3OC)Br)OC

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3OC)Br)OC

InChI

InChI=1S/C21H23BrN2O4S/c1-26-10-6-9-24-20(25)15-7-4-5-8-17(15)23-21(24)29-13-14-11-19(28-3)16(22)12-18(14)27-2/h4-5,7-8,11-12H,6,9-10,13H2,1-3H3