6-chloranyl-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-chloranyl-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-chloro-N-[(E)-(4-nitrophenyl)methyleneamino]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: 6-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-[(E)-(4-nitrobenzylidene)amino]amine Formula: C12H8ClN7O2 MolecularWeight: 317.69062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC2=NC(=NC3=C2C=NN3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC2=NC(=NC3=C2C=NN3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H8ClN7O2/c13-12-16-10(9-6-15-19-11(9)17-12)18-14-5-7-1-3-8(4-2-7)20(21)22/h1-6H,(H2,15,16,17,18,19)/b14-5+