9-[[2-bromanyl-4-(chloromethyloxy)-3,5-dimethoxy-phenyl]methyl]-6-chloranyl-purin-2-amine

Systemtic Name: 9-[[2-bromanyl-4-(chloromethyloxy)-3,5-dimethoxy-phenyl]methyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[[2-bromo-4-(chloromethoxy)-3,5-dimethoxy-phenyl]methyl]-6-chloro-purin-2-amine CAS Name: 9-[[2-bromo-4-(chloromethoxy)-3,5-dimethoxyphenyl]methyl]-6-chloro-2-purinamine IUPAC Name: 9-[[2-bromo-4-(chloromethoxy)-3,5-dimethoxyphenyl]methyl]-6-chloropurin-2-amine Traditional Name: [9-[2-bromo-4-(chloromethoxy)-3,5-dimethoxy-benzyl]-6-chloro-purin-2-yl]amine Formula: C15H14BrCl2N5O3 MolecularWeight: 463.11336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)Br)OC)OCCl

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)Br)OC)OCCl

InChI

InChI=1S/C15H14BrCl2N5O3/c1-24-8-3-7(9(16)12(25-2)11(8)26-5-17)4-23-6-20-10-13(18)21-15(19)22-14(10)23/h3,6H,4-5H2,1-2H3,(H2,19,21,22)