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

Systemtic Name: 6-bromanyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3-pentyl-quinazolin-4-one Openeye Name: 6-bromo-2-[(3-methylisoxazol-5-yl)methylsulfanyl]-3-pentyl-quinazolin-4-one CAS Name: 6-bromo-2-[(3-methyl-5-isoxazolyl)methylthio]-3-pentyl-4-quinazolinone IUPAC Name: 6-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3-pentylquinazolin-4-one Traditional Name: 3-amyl-6-bromo-2-[(3-methylisoxazol-5-yl)methylthio]quinazolin-4-one Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=NO3)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=NO3)C

InChI

InChI=1S/C18H20BrN3O2S/c1-3-4-5-8-22-17(23)15-10-13(19)6-7-16(15)20-18(22)25-11-14-9-12(2)21-24-14/h6-7,9-10H,3-5,8,11H2,1-2H3