6-bromanyl-3-[(2R)-2-oxidanylpropyl]-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[(2R)-2-oxidanylpropyl]-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-6-bromo-3-[(2R)-2-hydroxypropyl]quinazolin-4-one CAS Name: 6-bromo-3-[(2R)-2-hydroxypropyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-6-bromo-3-[(2R)-2-hydroxypropyl]quinazolin-4-one Traditional Name: 2-(benzylthio)-6-bromo-3-[(2R)-2-hydroxypropyl]quinazolin-4-one Formula: C18H17BrN2O2S MolecularWeight: 405.30878

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=CC=C3)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=CC=C3)O

InChI

InChI=1S/C18H17BrN2O2S/c1-12(22)10-21-17(23)15-9-14(19)7-8-16(15)20-18(21)24-11-13-5-3-2-4-6-13/h2-9,12,22H,10-11H2,1H3/t12-/m1/s1