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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCN(CCCCCC)CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

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