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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: 2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-veratryl-acetamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C22H21N5O4/c1-30-18-9-8-15(10-19(18)31-2)11-23-20(28)13-26-14-24-21-17(22(26)29)12-25-27(21)16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3,(H,23,28)