5-[(E)-(4-nitrophenyl)methylideneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-imine

Systemtic Name: 5-[(E)-(4-nitrophenyl)methylideneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-imine Openeye Name: 5-[(E)-(4-nitrophenyl)methyleneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-imine CAS Name: 5-[(E)-(4-nitrophenyl)methylideneamino]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinimine IUPAC Name: 5-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-imine Traditional Name: (E)-(4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-(4-nitrobenzylidene)amine Formula: C18H13N7O2 MolecularWeight: 359.34152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N7O2/c19-17-16-11-22-24(14-4-2-1-3-5-14)18(16)20-12-23(17)21-10-13-6-8-15(9-7-13)25(26)27/h1-12,19H/b19-17?,21-10+