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

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

Systemtic Name:9-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]purin-2-amine
Openeye Name:9-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]purin-2-amine
CAS Name:9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-2-purinamine
IUPAC Name:9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]purin-2-amine
Traditional Name:[9-(2-bromo-3,4,5-trimethoxy-benzyl)purin-2-yl]amine
Formula: C15H16BrN5O3
MolecularWeight: 394.22324
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C=NC3=CN=C(N=C32)N)Br)OC)OC


Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C=NC3=CN=C(N=C32)N)Br)OC)OC


InChI

InChI=1S/C15H16BrN5O3/c1-22-10-4-8(11(16)13(24-3)12(10)23-2)6-21-7-19-9-5-18-15(17)20-14(9)21/h4-5,7H,6H2,1-3H3,(H2,17,18,20)


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