3,5-dimethoxy-N-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide Openeye Name: 3,5-dimethoxy-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide CAS Name: 3,5-dimethoxy-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzamide Traditional Name: N-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3,5-dimethoxy-benzamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H19N5O4/c1-29-15-8-13(9-16(10-15)30-2)20(27)22-12-18-24-19-17(21(28)25-18)11-23-26(19)14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3,(H,22,27)