1,3-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]xanthine Formula: C16H15N5O6 MolecularWeight: 373.3202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C16H15N5O6/c1-18-14-12(15(22)19(2)16(18)23)20(7-17-14)5-9-3-11(21(24)25)4-10-6-26-8-27-13(9)10/h3-4,7H,5-6,8H2,1-2H3