5-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-hydroxy-3-(3-nitrophenoxy)propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H17N5O5/c26-16(12-30-17-8-4-7-15(9-17)25(28)29)11-23-13-21-19-18(20(23)27)10-22-24(19)14-5-2-1-3-6-14/h1-10,13,16,26H,11-12H2