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8-(4,5-dimethoxy-2-nitro-phenyl)-7H-purine-2,6-diamine

8-(4,5-dimethoxy-2-nitro-phenyl)-7H-purine-2,6-diamine

Systemtic Name:8-(4,5-dimethoxy-2-nitro-phenyl)-7H-purine-2,6-diamine
Openeye Name:8-(4,5-dimethoxy-2-nitro-phenyl)-7H-purine-2,6-diamine
CAS Name:8-(4,5-dimethoxy-2-nitrophenyl)-7H-purine-2,6-diamine
IUPAC Name:8-(4,5-dimethoxy-2-nitrophenyl)-7H-purine-2,6-diamine
Traditional Name:[2-amino-8-(4,5-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/c1-23-7-3-5(6(20(21)22)4-8(7)24-2)11-16-9-10(14)17-13(15)19-12(9)18-11/h3-4H,1-2H3,(H5,14,15,16,17,18,19)


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