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

Systemtic Name: 3,7-dimethyl-1-[10-oxidanyl-11-(tetradecylamino)undecyl]purine-2,6-dione Openeye Name: 1-[10-hydroxy-11-(tetradecylamino)undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[10-hydroxy-11-(tetradecylamino)undecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[10-hydroxy-11-(tetradecylamino)undecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[10-hydroxy-11-(myristylamino)undecyl]-3,7-dimethyl-xanthine Formula: C32H59N5O3 MolecularWeight: 561.84256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H59N5O3/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-33-26-28(38)23-20-17-14-13-16-19-22-25-37-31(39)29-30(34-27-35(29)2)36(3)32(37)40/h27-28,33,38H,4-26H2,1-3H3