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

Systemtic Name: 7-bromanyl-6-ethylsulfanyl-3-[3-(3-methoxypiperidin-2-yl)-2-oxidanylidene-propyl]quinazolin-4-one dihydrobromide Openeye Name: 7-bromo-6-ethylsulfanyl-3-[3-(3-methoxy-2-piperidyl)-2-oxo-propyl]quinazolin-4-one dihydrobromide CAS Name: 7-bromo-6-(ethylthio)-3-[3-(3-methoxy-2-piperidinyl)-2-oxopropyl]-4-quinazolinone dihydrobromide IUPAC Name: 7-bromo-6-ethylsulfanyl-3-[3-(3-methoxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one dihydrobromide Traditional Name: 7-bromo-6-(ethylthio)-3-[2-keto-3-(3-methoxy-2-piperidyl)propyl]quinazolin-4-one dihydrobromide Formula: C19H26Br3N3O3S MolecularWeight: 616.20504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O3S.2BrH/c1-3-27-18-8-13-15(9-14(18)20)22-11-23(19(13)25)10-12(24)7-16-17(26-2)5-4-6-21-16;;/h8-9,11,16-17,21H,3-7,10H2,1-2H3;2*1H