5-[2-(2-methylphenoxy)ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(2-methylphenoxy)ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(2-methylphenoxy)ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(2-methylphenoxy)ethyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(2-methylphenoxy)ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(2-methylphenoxy)ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O4/c1-14-6-2-5-9-18(14)29-11-10-23-13-21-19-15(20(23)26)12-22-24(19)16-7-3-4-8-17(16)25(27)28/h2-9,12-13H,10-11H2,1H3