6-bromanyl-9-[(2-fluoranyl-3,4,5-trimethoxy-phenyl)methyl]purin-2-amine

Systemtic Name: 6-bromanyl-9-[(2-fluoranyl-3,4,5-trimethoxy-phenyl)methyl]purin-2-amine Openeye Name: 6-bromo-9-[(2-fluoro-3,4,5-trimethoxy-phenyl)methyl]purin-2-amine CAS Name: 6-bromo-9-[(2-fluoro-3,4,5-trimethoxyphenyl)methyl]-2-purinamine IUPAC Name: 6-bromo-9-[(2-fluoro-3,4,5-trimethoxyphenyl)methyl]purin-2-amine Traditional Name: [6-bromo-9-(2-fluoro-3,4,5-trimethoxy-benzyl)purin-2-yl]amine Formula: C15H15BrFN5O3 MolecularWeight: 412.213703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3Br)N)F)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3Br)N)F)OC)OC

InChI

InChI=1S/C15H15BrFN5O3/c1-23-8-4-7(9(17)12(25-3)11(8)24-2)5-22-6-19-10-13(16)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H2,18,20,21)