N-(4-bromanyl-3-methyl-phenyl)-3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C22H20BrN5O2 MolecularWeight: 466.3305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN5O2/c1-14-12-16(8-9-19(14)23)26-20(29)10-11-27-15(2)25-21-18(22(27)30)13-24-28(21)17-6-4-3-5-7-17/h3-9,12-13H,10-11H2,1-2H3,(H,26,29)