5-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-hydroxy-3-(2-naphthyloxy)propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(2-hydroxy-3-naphthalen-2-yloxypropyl)-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-hydroxy-3-(2-naphthoxy)propyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C24H19N5O5 MolecularWeight: 457.43816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OCC(CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OCC(CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-])O

InChI

InChI=1S/C24H19N5O5/c30-18(14-34-19-10-9-16-5-1-2-6-17(16)11-19)13-27-15-25-23-20(24(27)31)12-26-28(23)21-7-3-4-8-22(21)29(32)33/h1-12,15,18,30H,13-14H2