3,7-dimethyl-1-(11-octoxy-10-oxidanylidene-undecyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(11-octoxy-10-oxidanylidene-undecyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(11-octoxy-10-oxo-undecyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(11-octoxy-10-oxoundecyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(11-octoxy-10-oxoundecyl)purine-2,6-dione Traditional Name: 1-(10-keto-11-octoxy-undecyl)-3,7-dimethyl-xanthine Formula: C26H44N4O4 MolecularWeight: 476.65196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N4O4/c1-4-5-6-7-13-16-19-34-20-22(31)17-14-11-9-8-10-12-15-18-30-25(32)23-24(27-21-28(23)2)29(3)26(30)33/h21H,4-20H2,1-3H3