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

Systemtic Name: 7-bromanyl-6-ethylsulfanyl-3-[2-oxidanylidene-3-(3-oxidanylpiperidin-2-yl)propyl]quinazolin-4-one dihydrobromide Openeye Name: 7-bromo-6-ethylsulfanyl-3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]quinazolin-4-one dihydrobromide CAS Name: 7-bromo-6-(ethylthio)-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-4-quinazolinone dihydrobromide IUPAC Name: 7-bromo-6-ethylsulfanyl-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one dihydrobromide Traditional Name: 7-bromo-6-(ethylthio)-3-[3-(3-hydroxy-2-piperidyl)-2-keto-propyl]quinazolin-4-one dihydrobromide Formula: C18H24Br3N3O3S MolecularWeight: 602.17846

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(=O)CC3C(CCCN3)O)Br.Br.Br

Isomeric SMILES

CCSC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(=O)CC3C(CCCN3)O)Br.Br.Br

InChI

InChI=1S/C18H22BrN3O3S.2BrH/c1-2-26-17-7-12-14(8-13(17)19)21-10-22(18(12)25)9-11(23)6-15-16(24)4-3-5-20-15;;/h7-8,10,15-16,20,24H,2-6,9H2,1H3;2*1H