6-bromanyl-3-(2-methoxyethyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(2-methoxyethyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-(2-methoxyethyl)-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-(2-methoxyethyl)-2-[[(2R)-2-oxanyl]methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-(2-methoxyethyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-(2-methoxyethyl)-2-[[(2R)-tetrahydropyran-2-yl]methylthio]quinazolin-4-one Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3CCCCO3

Isomeric SMILES

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC[C@H]3CCCCO3

InChI

InChI=1S/C17H21BrN2O3S/c1-22-9-7-20-16(21)14-10-12(18)5-6-15(14)19-17(20)24-11-13-4-2-3-8-23-13/h5-6,10,13H,2-4,7-9,11H2,1H3/t13-/m1/s1