N-(2-bromanyl-4-methyl-phenyl)-2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[1-(2-nitrophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[1-(2-nitrophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[1-(2-nitrophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[1-(2-nitrophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-keto-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Formula: C20H15BrN6O4 MolecularWeight: 483.2749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-])Br

InChI

InChI=1S/C20H15BrN6O4/c1-12-6-7-15(14(21)8-12)24-18(28)10-25-11-22-19-13(20(25)29)9-23-26(19)16-4-2-3-5-17(16)27(30)31/h2-9,11H,10H2,1H3,(H,24,28)