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

Systemtic Name: 2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamide Openeye Name: N-[(4-benzyloxyphenyl)methyl]-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenyl-acetamide CAS Name: 2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide IUPAC Name: 2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-phenyl-N-[(4-phenylmethoxyphenyl)methyl]acetamide Traditional Name: N-(4-benzoxybenzyl)-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-phenyl-acetamide Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N(CC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N(CC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N5O3/c1-31-27-25(16-30-31)28(35)32(20-29-27)18-26(34)33(23-10-6-3-7-11-23)17-21-12-14-24(15-13-21)36-19-22-8-4-2-5-9-22/h2-16,20H,17-19H2,1H3