8-bromanyl-6-chloranyl-9-[(4,5-dimethoxy-2-nitro-phenyl)methyl]purin-2-amine

Systemtic Name: 8-bromanyl-6-chloranyl-9-[(4,5-dimethoxy-2-nitro-phenyl)methyl]purin-2-amine Openeye Name: 8-bromo-6-chloro-9-[(4,5-dimethoxy-2-nitro-phenyl)methyl]purin-2-amine CAS Name: 8-bromo-6-chloro-9-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-purinamine IUPAC Name: 8-bromo-6-chloro-9-[(4,5-dimethoxy-2-nitrophenyl)methyl]purin-2-amine Traditional Name: [8-bromo-6-chloro-9-(4,5-dimethoxy-2-nitro-benzyl)purin-2-yl]amine Formula: C14H12BrClN6O4 MolecularWeight: 443.63988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C3=C(C(=NC(=N3)N)Cl)N=C2Br)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C3=C(C(=NC(=N3)N)Cl)N=C2Br)[N+](=O)[O-])OC

InChI

InChI=1S/C14H12BrClN6O4/c1-25-8-3-6(7(22(23)24)4-9(8)26-2)5-21-12-10(18-13(21)15)11(16)19-14(17)20-12/h3-4H,5H2,1-2H3,(H2,17,19,20)