1-(11-bromanylundecyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(11-bromanylundecyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(11-bromoundecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(11-bromoundecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(11-bromoundecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(11-bromoundecyl)-3,7-dimethyl-xanthine Formula: C18H29BrN4O2 MolecularWeight: 413.35246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCBr

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCBr

InChI

InChI=1S/C18H29BrN4O2/c1-21-14-20-16-15(21)17(24)23(18(25)22(16)2)13-11-9-7-5-3-4-6-8-10-12-19/h14H,3-13H2,1-2H3