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

Systemtic Name: 3,7-dimethyl-1-[11-[methyl(octyl)amino]-10-oxidanyl-undecyl]purine-2,6-dione Openeye Name: 1-[10-hydroxy-11-[methyl(octyl)amino]undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[10-hydroxy-11-[methyl(octyl)amino]undecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[10-hydroxy-11-[methyl(octyl)amino]undecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[10-hydroxy-11-[methyl(octyl)amino]undecyl]-3,7-dimethyl-xanthine Formula: C27H49N5O3 MolecularWeight: 491.70966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49N5O3/c1-5-6-7-8-13-16-19-29(2)21-23(33)18-15-12-10-9-11-14-17-20-32-26(34)24-25(28-22-30(24)3)31(4)27(32)35/h22-23,33H,5-21H2,1-4H3