7-methoxy-6-methylsulfanyl-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazolin-4-one dihydrobromide

Systemtic Name: 7-methoxy-6-methylsulfanyl-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazolin-4-one dihydrobromide Openeye Name: 3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]-7-methoxy-6-methylsulfanyl-quinazolin-4-one dihydrobromide CAS Name: 3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-7-methoxy-6-(methylthio)-4-quinazolinone dihydrobromide IUPAC Name: 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-7-methoxy-6-methylsulfanylquinazolin-4-one dihydrobromide Traditional Name: 3-[3-(3-hydroxy-2-piperidyl)-2-keto-propyl]-7-methoxy-6-(methylthio)quinazolin-4-one dihydrobromide Formula: C18H25Br2N3O4S MolecularWeight: 539.2818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN(C2=O)CC(=O)CC3C(CCCN3)O)SC.Br.Br

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN(C2=O)CC(=O)CC3C(CCCN3)O)SC.Br.Br

InChI

InChI=1S/C18H23N3O4S.2BrH/c1-25-16-8-13-12(7-17(16)26-2)18(24)21(10-20-13)9-11(22)6-14-15(23)4-3-5-19-14;;/h7-8,10,14-15,19,23H,3-6,9H2,1-2H3;2*1H