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

Systemtic Name: 1,7-dimethyl-8-nitro-3-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione Openeye Name: 1,7-dimethyl-8-nitro-3-(2-tetrahydropyran-2-yloxyethyl)purine-2,6-dione CAS Name: 1,7-dimethyl-8-nitro-3-[2-(2-oxanyloxy)ethyl]purine-2,6-dione IUPAC Name: 1,7-dimethyl-8-nitro-3-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione Traditional Name: 1,7-dimethyl-8-nitro-3-(2-tetrahydropyran-2-yloxyethyl)xanthine Formula: C14H19N5O6 MolecularWeight: 353.33056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)CCOC3CCCCO3

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)CCOC3CCCCO3

InChI

InChI=1S/C14H19N5O6/c1-16-10-11(15-13(16)19(22)23)18(14(21)17(2)12(10)20)6-8-25-9-5-3-4-7-24-9/h9H,3-8H2,1-2H3