3,7-dimethyl-1-[10-oxidanyl-11-[(3,4,5-trimethoxyphenyl)methylamino]undecyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[10-oxidanyl-11-[(3,4,5-trimethoxyphenyl)methylamino]undecyl]purine-2,6-dione Openeye Name: 1-[10-hydroxy-11-[(3,4,5-trimethoxyphenyl)methylamino]undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[10-hydroxy-11-[(3,4,5-trimethoxyphenyl)methylamino]undecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[10-hydroxy-11-[(3,4,5-trimethoxyphenyl)methylamino]undecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[10-hydroxy-11-[(3,4,5-trimethoxybenzyl)amino]undecyl]-3,7-dimethyl-xanthine Formula: C28H43N5O6 MolecularWeight: 545.67092

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC(CNCC3=CC(=C(C(=C3)OC)OC)OC)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC(CNCC3=CC(=C(C(=C3)OC)OC)OC)O

InChI

InChI=1S/C28H43N5O6/c1-31-19-30-26-24(31)27(35)33(28(36)32(26)2)14-12-10-8-6-7-9-11-13-21(34)18-29-17-20-15-22(37-3)25(39-5)23(16-20)38-4/h15-16,19,21,29,34H,6-14,17-18H2,1-5H3