5-[(3-nitrophenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(3-nitrophenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(3-nitrophenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(3-nitrophenyl)methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(3-nitrophenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3-nitrobenzyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H13N5O3 MolecularWeight: 347.32752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O3/c24-18-16-10-20-22(14-6-2-1-3-7-14)17(16)19-12-21(18)11-13-5-4-8-15(9-13)23(25)26/h1-10,12H,11H2