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9-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]purine-2,6-diamine

9-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]purine-2,6-diamine

Systemtic Name:9-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]purine-2,6-diamine
Openeye Name:9-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]purine-2,6-diamine
CAS Name:9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purine-2,6-diamine
IUPAC Name:9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purine-2,6-diamine
Traditional Name:[2-amino-9-(2-bromo-3,4,5-trimethoxy-benzyl)purin-6-yl]amine
Formula: C15H17BrN6O3
MolecularWeight: 409.23788
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3N)N)Br)OC)OC


Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3N)N)Br)OC)OC


InChI

InChI=1S/C15H17BrN6O3/c1-23-8-4-7(9(16)12(25-3)11(8)24-2)5-22-6-19-10-13(17)20-15(18)21-14(10)22/h4,6H,5H2,1-3H3,(H4,17,18,20,21)


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