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

Systemtic Name: 3,7-dimethyl-8-nitro-1-[3-(oxan-2-yloxy)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-8-nitro-1-(3-tetrahydropyran-2-yloxypropyl)purine-2,6-dione CAS Name: 3,7-dimethyl-8-nitro-1-[3-(2-oxanyloxy)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-nitro-1-[3-(oxan-2-yloxy)propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-8-nitro-1-(3-tetrahydropyran-2-yloxypropyl)xanthine Formula: C15H21N5O6 MolecularWeight: 367.35714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CCCOC3CCCCO3)C

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CCCOC3CCCCO3)C

InChI

InChI=1S/C15H21N5O6/c1-17-11-12(16-14(17)20(23)24)18(2)15(22)19(13(11)21)7-5-9-26-10-6-3-4-8-25-10/h10H,3-9H2,1-2H3