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

Systemtic Name: N-[(E)-(3-nitrophenyl)methylideneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(E)-(3-nitrophenyl)methyleneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(E)-(3-nitrophenyl)methylideneamino]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[(E)-(3-nitrophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [(E)-(3-nitrobenzylidene)amino]-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)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(=NC=N3)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13N7O2/c26-25(27)15-8-4-5-13(9-15)10-21-23-17-16-11-22-24(18(16)20-12-19-17)14-6-2-1-3-7-14/h1-12H,(H,19,20,23)/b21-10+