7-bromanyl-6-chloranyl-3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylthian-2-yl]propyl]quinazolin-4-one

Systemtic Name: 7-bromanyl-6-chloranyl-3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylthian-2-yl]propyl]quinazolin-4-one Openeye Name: 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxytetrahydrothiopyran-2-yl]-2-oxo-propyl]quinazolin-4-one CAS Name: 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-thianyl]-2-oxopropyl]-4-quinazolinone IUPAC Name: 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxythian-2-yl]-2-oxopropyl]quinazolin-4-one Traditional Name: 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxytetrahydrothiopyran-2-yl]-2-keto-propyl]quinazolin-4-one Formula: C16H16BrClN2O3S MolecularWeight: 431.73184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(SC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O

Isomeric SMILES

C1C[C@@H]([C@H](SC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O

InChI

InChI=1S/C16H16BrClN2O3S/c17-11-6-13-10(5-12(11)18)16(23)20(8-19-13)7-9(21)4-15-14(22)2-1-3-24-15/h5-6,8,14-15,22H,1-4,7H2/t14-,15+/m0/s1