9-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6-pyridin-3-yloxy-purine

Systemtic Name: 9-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6-pyridin-3-yloxy-purine Openeye Name: 9-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6-(3-pyridyloxy)purine CAS Name: 9-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-(3-pyridinyloxy)purine IUPAC Name: 9-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6-pyridin-3-yloxypurine Traditional Name: 9-(2-bromo-4,5-dimethoxy-benzyl)-6-(3-pyridyloxy)purine Formula: C19H16BrN5O3 MolecularWeight: 442.26604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C=NC3=C2N=CN=C3OC4=CN=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C=NC3=C2N=CN=C3OC4=CN=CC=C4)Br)OC

InChI

InChI=1S/C19H16BrN5O3/c1-26-15-6-12(14(20)7-16(15)27-2)9-25-11-24-17-18(25)22-10-23-19(17)28-13-4-3-5-21-8-13/h3-8,10-11H,9H2,1-2H3