7-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6-(pyridin-3-ylmethoxy)purine

Systemtic Name: 7-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6-(pyridin-3-ylmethoxy)purine Openeye Name: 7-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6-(3-pyridylmethoxy)purine CAS Name: 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-(3-pyridinylmethoxy)purine IUPAC Name: 7-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)purine Traditional Name: 7-(2-bromo-4,5-dimethoxy-benzyl)-6-(3-pyridylmethoxy)purine Formula: C20H18BrN5O3 MolecularWeight: 456.29262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C=NC3=C2C(=NC=N3)OCC4=CN=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C=NC3=C2C(=NC=N3)OCC4=CN=CC=C4)Br)OC

InChI

InChI=1S/C20H18BrN5O3/c1-27-16-6-14(15(21)7-17(16)28-2)9-26-12-25-19-18(26)20(24-11-23-19)29-10-13-4-3-5-22-8-13/h3-8,11-12H,9-10H2,1-2H3