7-bromanyl-2-[[2-methoxyethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-[[2-methoxyethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[[2-methoxyethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[2-methoxyethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[[2-methoxyethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[[(4-keto-1H-quinazolin-2-yl)methyl-(2-methoxyethyl)amino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H21BrN5O3+ MolecularWeight: 471.32714

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COCCN(CC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20BrN5O3/c1-30-9-8-26(13-18-24-17-5-3-2-4-16(17)21(29)25-18)12-15-10-20(28)27-11-14(22)6-7-19(27)23-15/h2-7,10-11H,8-9,12-13H2,1H3,(H,24,25,29)/p+1