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

Systemtic Name: 3,7-dimethyl-1-[10-oxidanyl-11-(tridecylamino)undecyl]purine-2,6-dione Openeye Name: 1-[10-hydroxy-11-(tridecylamino)undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[10-hydroxy-11-(tridecylamino)undecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[10-hydroxy-11-(tridecylamino)undecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[10-hydroxy-11-(tridecylamino)undecyl]-3,7-dimethyl-xanthine Formula: C31H57N5O3 MolecularWeight: 547.81598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C31H57N5O3/c1-4-5-6-7-8-9-10-11-14-17-20-23-32-25-27(37)22-19-16-13-12-15-18-21-24-36-30(38)28-29(33-26-34(28)2)35(3)31(36)39/h26-27,32,37H,4-25H2,1-3H3