N-[(E)-(3-nitrophenyl)methylideneamino]-7H-purin-6-amine

Systemtic Name: N-[(E)-(3-nitrophenyl)methylideneamino]-7H-purin-6-amine Openeye Name: N-[(E)-(3-nitrophenyl)methyleneamino]-7H-purin-6-amine CAS Name: N-[(E)-(3-nitrophenyl)methylideneamino]-7H-purin-6-amine IUPAC Name: N-[(E)-(3-nitrophenyl)methylideneamino]-7H-purin-6-amine Traditional Name: [(E)-(3-nitrobenzylidene)amino]-(7H-purin-6-yl)amine Formula: C12H9N7O2 MolecularWeight: 283.24556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H9N7O2/c20-19(21)9-3-1-2-8(4-9)5-17-18-12-10-11(14-6-13-10)15-7-16-12/h1-7H,(H2,13,14,15,16,18)/b17-5+