1-(11-azido-10-oxidanyl-undecyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(11-azido-10-oxidanyl-undecyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(11-azido-10-hydroxy-undecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(11-azido-10-hydroxyundecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(11-azido-10-hydroxyundecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(11-azido-10-hydroxy-undecyl)-3,7-dimethyl-xanthine Formula: C18H29N7O3 MolecularWeight: 391.46796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC(CN=[N+]=[N-])O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC(CN=[N+]=[N-])O

InChI

InChI=1S/C18H29N7O3/c1-23-13-20-16-15(23)17(27)25(18(28)24(16)2)11-9-7-5-3-4-6-8-10-14(26)12-21-22-19/h13-14,26H,3-12H2,1-2H3