8-bromanyl-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-bromo-7-[2-keto-2-(3-nitrophenyl)ethyl]-1,3-dimethyl-xanthine Formula: C15H12BrN5O5 MolecularWeight: 422.19028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrN5O5/c1-18-12-11(13(23)19(2)15(18)24)20(14(16)17-12)7-10(22)8-4-3-5-9(6-8)21(25)26/h3-6H,7H2,1-2H3