3,7-dimethyl-1-[7-(3-octyl-2-oxidanylidene-1,3-oxazolidin-5-yl)heptyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[7-(3-octyl-2-oxidanylidene-1,3-oxazolidin-5-yl)heptyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[7-(3-octyl-2-oxo-oxazolidin-5-yl)heptyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[7-(3-octyl-2-oxo-5-oxazolidinyl)heptyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[7-(3-octyl-2-oxo-1,3-oxazolidin-5-yl)heptyl]purine-2,6-dione Traditional Name: 1-[7-(2-keto-3-octyl-oxazolidin-5-yl)heptyl]-3,7-dimethyl-xanthine Formula: C25H41N5O4 MolecularWeight: 475.62414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CC(OC1=O)CCCCCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCCCCCCCN1CC(OC1=O)CCCCCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C25H41N5O4/c1-4-5-6-7-10-13-16-29-18-20(34-25(29)33)15-12-9-8-11-14-17-30-23(31)21-22(26-19-27(21)2)28(3)24(30)32/h19-20H,4-18H2,1-3H3