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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]xanthine Formula: C16H14ClN5O6 MolecularWeight: 407.76526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5O6/c1-19-13-11(14(23)20(2)16(19)24)21(15(17)18-13)5-8-3-10(22(25)26)4-9-6-27-7-28-12(8)9/h3-4H,5-7H2,1-2H3