N-(4-bromanyl-3-methyl-phenyl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propionamide Formula: C21H18BrN5O2 MolecularWeight: 452.30392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)Br

InChI

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