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

Systemtic Name: 8-(6-azanylhexylamino)-7-[(3-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(6-aminohexylamino)-7-[(3-bromophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(6-aminohexylamino)-7-[(3-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(6-aminohexylamino)-7-[(3-bromophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(6-aminohexylamino)-7-(3-bromobenzyl)-1,3-dimethyl-xanthine Formula: C20H27BrN6O2 MolecularWeight: 463.37138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCCCN)CC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCCCN)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H27BrN6O2/c1-25-17-16(18(28)26(2)20(25)29)27(13-14-8-7-9-15(21)12-14)19(24-17)23-11-6-4-3-5-10-22/h7-9,12H,3-6,10-11,13,22H2,1-2H3,(H,23,24)