1-[(3-bromophenyl)methyl]-8-(hexylamino)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(3-bromophenyl)methyl]-8-(hexylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(3-bromophenyl)methyl]-8-(hexylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(3-bromophenyl)methyl]-8-(hexylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(3-bromophenyl)methyl]-8-(hexylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3-bromobenzyl)-8-(hexylamino)-3,7-dimethyl-xanthine Formula: C20H26BrN5O2 MolecularWeight: 448.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H26BrN5O2/c1-4-5-6-7-11-22-19-23-17-16(24(19)2)18(27)26(20(28)25(17)3)13-14-9-8-10-15(21)12-14/h8-10,12H,4-7,11,13H2,1-3H3,(H,22,23)