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

Systemtic Name: 1-[11-[(4-fluorophenyl)methylamino]-10-oxidanyl-undecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[11-[(4-fluorophenyl)methylamino]-10-hydroxy-undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[11-[(4-fluorophenyl)methylamino]-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[11-[(4-fluorophenyl)methylamino]-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[11-[(4-fluorobenzyl)amino]-10-hydroxy-undecyl]-3,7-dimethyl-xanthine Formula: C25H36FN5O3 MolecularWeight: 473.583443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36FN5O3/c1-29-18-28-23-22(29)24(33)31(25(34)30(23)2)15-9-7-5-3-4-6-8-10-21(32)17-27-16-19-11-13-20(26)14-12-19/h11-14,18,21,27,32H,3-10,15-17H2,1-2H3