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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(4-bromo-2-methylphenyl)-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H18BrN5O2 MolecularWeight: 452.30392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18BrN5O2/c1-14-11-15(22)7-8-18(14)25-19(28)9-10-26-13-23-20-17(21(26)29)12-24-27(20)16-5-3-2-4-6-16/h2-8,11-13H,9-10H2,1H3,(H,25,28)