8-bromanyl-7-[2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)ethyl]-3-methyl-xanthine Formula: C14H12Br2N8O4 MolecularWeight: 516.10428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCN3C4=C(N=C3Br)N(C(=O)NC4=O)C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCN3C4=C(N=C3Br)N(C(=O)NC4=O)C

InChI

InChI=1S/C14H12Br2N8O4/c1-21-7-5(9(25)19-13(21)27)23(11(15)17-7)3-4-24-6-8(18-12(24)16)22(2)14(28)20-10(6)26/h3-4H2,1-2H3,(H,19,25,27)(H,20,26,28)