8-[[2,6-bis(bromanyl)-3,4,5-trimethoxy-phenyl]methyl]-9-butyl-purin-6-amine

Systemtic Name: 8-[[2,6-bis(bromanyl)-3,4,5-trimethoxy-phenyl]methyl]-9-butyl-purin-6-amine Openeye Name: 9-butyl-8-[(2,6-dibromo-3,4,5-trimethoxy-phenyl)methyl]purin-6-amine CAS Name: 9-butyl-8-[(2,6-dibromo-3,4,5-trimethoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-butyl-8-[(2,6-dibromo-3,4,5-trimethoxyphenyl)methyl]purin-6-amine Traditional Name: [9-butyl-8-(2,6-dibromo-3,4,5-trimethoxy-benzyl)purin-6-yl]amine Formula: C19H23Br2N5O3 MolecularWeight: 529.22562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1N=CN=C2N)CC3=C(C(=C(C(=C3Br)OC)OC)OC)Br

Isomeric SMILES

CCCCN1C(=NC2=C1N=CN=C2N)CC3=C(C(=C(C(=C3Br)OC)OC)OC)Br

InChI

InChI=1S/C19H23Br2N5O3/c1-5-6-7-26-11(25-14-18(22)23-9-24-19(14)26)8-10-12(20)15(27-2)17(29-4)16(28-3)13(10)21/h9H,5-8H2,1-4H3,(H2,22,23,24)