3-[2-(1,3-dioxan-2-yl)ethyl]-1,7-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 3-[2-(1,3-dioxan-2-yl)ethyl]-1,7-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 3-[2-(1,3-dioxan-2-yl)ethyl]-1,7-dimethyl-8-nitro-purine-2,6-dione CAS Name: 3-[2-(1,3-dioxan-2-yl)ethyl]-1,7-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 3-[2-(1,3-dioxan-2-yl)ethyl]-1,7-dimethyl-8-nitropurine-2,6-dione Traditional Name: 3-[2-(1,3-dioxan-2-yl)ethyl]-1,7-dimethyl-8-nitro-xanthine Formula: C13H17N5O6 MolecularWeight: 339.30398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)CCC3OCCCO3

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)CCC3OCCCO3

InChI

InChI=1S/C13H17N5O6/c1-15-9-10(14-12(15)18(21)22)17(13(20)16(2)11(9)19)5-4-8-23-6-3-7-24-8/h8H,3-7H2,1-2H3