9-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-N-(pyridin-3-ylmethyl)purin-6-amine

Systemtic Name: 9-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-N-(pyridin-3-ylmethyl)purin-6-amine Openeye Name: 9-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-N-(3-pyridylmethyl)purin-6-amine CAS Name: 9-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-(3-pyridinylmethyl)-6-purinamine IUPAC Name: 9-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)purin-6-amine Traditional Name: [9-(2-bromo-4,5-dimethoxy-benzyl)purin-6-yl]-(3-pyridylmethyl)amine Formula: C20H19BrN6O2 MolecularWeight: 455.30786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C=NC3=C2N=CN=C3NCC4=CN=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C=NC3=C2N=CN=C3NCC4=CN=CC=C4)Br)OC

InChI

InChI=1S/C20H19BrN6O2/c1-28-16-6-14(15(21)7-17(16)29-2)10-27-12-26-18-19(24-11-25-20(18)27)23-9-13-4-3-5-22-8-13/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25)