3,7-dimethyl-1-[10-oxidanyl-11-(2-piperidin-1-ylethylamino)undecyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[10-oxidanyl-11-(2-piperidin-1-ylethylamino)undecyl]purine-2,6-dione Openeye Name: 1-[10-hydroxy-11-[2-(1-piperidyl)ethylamino]undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[10-hydroxy-11-[2-(1-piperidinyl)ethylamino]undecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[10-hydroxy-11-(2-piperidin-1-ylethylamino)undecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[10-hydroxy-11-(2-piperidinoethylamino)undecyl]-3,7-dimethyl-xanthine Formula: C25H44N6O3 MolecularWeight: 476.65526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC(CNCCN3CCCCC3)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC(CNCCN3CCCCC3)O

InChI

InChI=1S/C25H44N6O3/c1-28-20-27-23-22(28)24(33)31(25(34)29(23)2)17-12-7-5-3-4-6-9-13-21(32)19-26-14-18-30-15-10-8-11-16-30/h20-21,26,32H,3-19H2,1-2H3