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

Systemtic Name: 6-chloranyl-9-[(4,5-dimethoxy-2-nitro-phenyl)methyl]purin-2-amine Openeye Name: 6-chloro-9-[(4,5-dimethoxy-2-nitro-phenyl)methyl]purin-2-amine CAS Name: 6-chloro-9-[(4,5-dimethoxy-2-nitrophenyl)methyl]-2-purinamine IUPAC Name: 6-chloro-9-[(4,5-dimethoxy-2-nitrophenyl)methyl]purin-2-amine Traditional Name: [6-chloro-9-(4,5-dimethoxy-2-nitro-benzyl)purin-2-yl]amine Formula: C14H13ClN6O4 MolecularWeight: 364.74382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)[N+](=O)[O-])OC

InChI

InChI=1S/C14H13ClN6O4/c1-24-9-3-7(8(21(22)23)4-10(9)25-2)5-20-6-17-11-12(15)18-14(16)19-13(11)20/h3-4,6H,5H2,1-2H3,(H2,16,18,19)