8-[3-(1,3-dioxan-2-yl)phenoxy]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[3-(1,3-dioxan-2-yl)phenoxy]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[3-(1,3-dioxan-2-yl)phenoxy]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[3-(1,3-dioxan-2-yl)phenoxy]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[3-(1,3-dioxan-2-yl)phenoxy]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[3-(1,3-dioxan-2-yl)phenoxy]-1,3,7-trimethyl-xanthine Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=CC(=C3)C4OCCCO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=CC(=C3)C4OCCCO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20N4O5/c1-20-13-14(21(2)18(24)22(3)15(13)23)19-17(20)27-12-7-4-6-11(10-12)16-25-8-5-9-26-16/h4,6-7,10,16H,5,8-9H2,1-3H3