8-(3,4-dimethoxy-2-nitro-phenyl)-7H-purine-2,6-diamine

Systemtic Name: 8-(3,4-dimethoxy-2-nitro-phenyl)-7H-purine-2,6-diamine Openeye Name: 8-(3,4-dimethoxy-2-nitro-phenyl)-7H-purine-2,6-diamine CAS Name: 8-(3,4-dimethoxy-2-nitrophenyl)-7H-purine-2,6-diamine IUPAC Name: 8-(3,4-dimethoxy-2-nitrophenyl)-7H-purine-2,6-diamine Traditional Name: [2-amino-8-(3,4-dimethoxy-2-nitro-phenyl)-7H-purin-6-yl]amine Formula: C13H13N7O4 MolecularWeight: 331.28682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=NC3=C(N2)C(=NC(=N3)N)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=NC3=C(N2)C(=NC(=N3)N)N)[N+](=O)[O-])OC

InChI

InChI=1S/C13H13N7O4/c1-23-6-4-3-5(8(20(21)22)9(6)24-2)11-16-7-10(14)17-13(15)19-12(7)18-11/h3-4H,1-2H3,(H5,14,15,16,17,18,19)