1,3-dimethyl-8-nitro-7-[(2,2,5-trimethyl-1,3-dioxan-4-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-nitro-7-[(2,2,5-trimethyl-1,3-dioxan-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-nitro-7-[(2,2,5-trimethyl-1,3-dioxan-4-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-7-[(2,2,5-trimethyl-1,3-dioxan-4-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nitro-7-[(2,2,5-trimethyl-1,3-dioxan-4-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-nitro-7-[(2,2,5-trimethyl-1,3-dioxan-4-yl)methyl]xanthine Formula: C15H21N5O6 MolecularWeight: 367.35714

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(OC1CN2C3=C(N=C2[N+](=O)[O-])N(C(=O)N(C3=O)C)C)(C)C

Isomeric SMILES

CC1COC(OC1CN2C3=C(N=C2[N+](=O)[O-])N(C(=O)N(C3=O)C)C)(C)C

InChI

InChI=1S/C15H21N5O6/c1-8-7-25-15(2,3)26-9(8)6-19-10-11(16-13(19)20(23)24)17(4)14(22)18(5)12(10)21/h8-9H,6-7H2,1-5H3