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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-[(3-methoxyphenyl)methyl]-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: 3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-m-anisyl-propionamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/c1-30-17-9-5-6-15(12-17)13-23-20(28)11-10-19-25-21-18(22(29)26-19)14-24-27(21)16-7-3-2-4-8-16/h2-9,12,14,24H,10-11,13H2,1H3,(H,23,28)