N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxy-acetamide CAS Name: N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-phenoxyacetamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxyacetamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-phenoxy-acetamide Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3CCNC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=NN3CCNC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/c28-20(15-30-18-9-5-2-6-10-18)23-11-12-27-21-19(13-25-27)22(29)26(16-24-21)14-17-7-3-1-4-8-17/h1-10,13,16H,11-12,14-15H2,(H,23,28)