3-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H11BrN4O4 MolecularWeight: 427.20834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC(=O)N4C=C(C=CC4=N3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC(=O)N4C=C(C=CC4=N3)Br)C(=O)O

InChI

InChI=1S/C18H11BrN4O4/c19-10-5-6-14-20-11(7-15(24)22(14)8-10)9-23-17(25)13-4-2-1-3-12(13)16(21-23)18(26)27/h1-8H,9H2,(H,26,27)