3,7-dimethyl-1-[8-(5-octyl-2-oxidanylidene-1,3-dioxolan-4-yl)octyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[8-(5-octyl-2-oxidanylidene-1,3-dioxolan-4-yl)octyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[8-(5-octyl-2-oxo-1,3-dioxolan-4-yl)octyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[8-(5-octyl-2-oxo-1,3-dioxolan-4-yl)octyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[8-(5-octyl-2-oxo-1,3-dioxolan-4-yl)octyl]purine-2,6-dione Traditional Name: 1-[8-(2-keto-5-octyl-1,3-dioxolan-4-yl)octyl]-3,7-dimethyl-xanthine Formula: C26H42N4O5 MolecularWeight: 490.63548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(OC(=O)O1)CCCCCCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCCCCCCCC1C(OC(=O)O1)CCCCCCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C26H42N4O5/c1-4-5-6-7-10-13-16-20-21(35-26(33)34-20)17-14-11-8-9-12-15-18-30-24(31)22-23(27-19-28(22)2)29(3)25(30)32/h19-21H,4-18H2,1-3H3