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

Systemtic Name: 3,7-dimethyl-1-[11-[(3,4,5-trimethoxyphenyl)methylamino]undecyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[11-[(3,4,5-trimethoxyphenyl)methylamino]undecyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[11-[(3,4,5-trimethoxyphenyl)methylamino]undecyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[11-[(3,4,5-trimethoxyphenyl)methylamino]undecyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[11-[(3,4,5-trimethoxybenzyl)amino]undecyl]xanthine Formula: C28H43N5O5 MolecularWeight: 529.67152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C28H43N5O5/c1-31-20-30-26-24(31)27(34)33(28(35)32(26)2)16-14-12-10-8-6-7-9-11-13-15-29-19-21-17-22(36-3)25(38-5)23(18-21)37-4/h17-18,20,29H,6-16,19H2,1-5H3