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

Systemtic Name: 6-bromanyl-3-(3-ethoxypropyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-(3-ethoxypropyl)-2-[(3-methylisoxazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-(3-ethoxypropyl)-2-[(3-methyl-5-isoxazolyl)methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-(3-ethoxypropyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-(3-ethoxypropyl)-2-[(3-methylisoxazol-5-yl)methylthio]quinazolin-4-one Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=NO3)C

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=NO3)C

InChI

InChI=1S/C18H20BrN3O3S/c1-3-24-8-4-7-22-17(23)15-10-13(19)5-6-16(15)20-18(22)26-11-14-9-12(2)21-25-14/h5-6,9-10H,3-4,7-8,11H2,1-2H3