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

Systemtic Name: 1-[11-(dodecylamino)-10-oxidanyl-undecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[11-(dodecylamino)-10-hydroxy-undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[11-(dodecylamino)-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[11-(dodecylamino)-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[10-hydroxy-11-(laurylamino)undecyl]-3,7-dimethyl-xanthine Formula: C30H55N5O3 MolecularWeight: 533.7894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H55N5O3/c1-4-5-6-7-8-9-10-13-16-19-22-31-24-26(36)21-18-15-12-11-14-17-20-23-35-29(37)27-28(32-25-33(27)2)34(3)30(35)38/h25-26,31,36H,4-24H2,1-3H3