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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(C)CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCCCCCN(C)CC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

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