8-bromanyl-7-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-7-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-7-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-7-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-7-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-1,3-dimethyl-xanthine Formula: C14H13BrN8O4 MolecularWeight: 437.20822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3C4=C(N=C3Br)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3C4=C(N=C3Br)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C14H13BrN8O4/c1-19-7-5(9(24)21(3)13(19)26)16-12(18-7)23-6-8(17-11(23)15)20(2)14(27)22(4)10(6)25/h1-4H3,(H,16,18)