2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-[[(2R)-2-oxolanyl]methyl]-4-quinazolinone IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C21H19BrN2O4S/c22-16-9-19-18(27-12-28-19)8-13(16)11-29-21-23-17-6-2-1-5-15(17)20(25)24(21)10-14-4-3-7-26-14/h1-2,5-6,8-9,14H,3-4,7,10-12H2/t14-/m1/s1