4-[[6-bromanyl-4-oxidanylidene-2-(pyridin-1-ium-4-ylmethylsulfanyl)quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide

Systemtic Name: 4-[[6-bromanyl-4-oxidanylidene-2-(pyridin-1-ium-4-ylmethylsulfanyl)quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide Openeye Name: 4-[[6-bromo-4-oxo-2-(pyridin-1-ium-4-ylmethylsulfanyl)quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide CAS Name: 4-[[6-bromo-4-oxo-2-(4-pyridin-1-iumylmethylthio)-3-quinazolinyl]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[[6-bromo-4-oxo-2-(pyridin-1-ium-4-ylmethylsulfanyl)quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide Traditional Name: 4-[[6-bromo-4-keto-2-(pyridin-1-ium-4-ylmethylthio)quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide Formula: C25H24BrN4O3S+ MolecularWeight: 540.45206

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC4=CC=[NH+]C=C4

Isomeric SMILES

COCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC4=CC=[NH+]C=C4

InChI

InChI=1S/C25H23BrN4O3S/c1-33-13-12-28-23(31)19-4-2-17(3-5-19)15-30-24(32)21-14-20(26)6-7-22(21)29-25(30)34-16-18-8-10-27-11-9-18/h2-11,14H,12-13,15-16H2,1H3,(H,28,31)/p+1