2-chloranyl-N-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-6-amine

Systemtic Name: 2-chloranyl-N-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-6-amine Openeye Name: 2-chloro-N-[(E)-(4-nitrophenyl)methyleneamino]-7H-purin-6-amine CAS Name: 2-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-6-amine IUPAC Name: 2-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]-7H-purin-6-amine Traditional Name: (2-chloro-7H-purin-6-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=C2NC=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClN7O2/c13-12-17-10-9(14-6-15-10)11(18-12)19-16-5-7-1-3-8(4-2-7)20(21)22/h1-6H,(H2,14,15,17,18,19)/b16-5+