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

Systemtic Name: 1-(11-chloranyl-10-oxidanyl-undecyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(11-chloro-10-hydroxy-undecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(11-chloro-10-hydroxyundecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(11-chloro-10-hydroxyundecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(11-chloro-10-hydroxy-undecyl)-3,7-dimethyl-xanthine Formula: C18H29ClN4O3 MolecularWeight: 384.90086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29ClN4O3/c1-21-13-20-16-15(21)17(25)23(18(26)22(16)2)11-9-7-5-3-4-6-8-10-14(24)12-19/h13-14,24H,3-12H2,1-2H3