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

Systemtic Name: 8-bromanyl-7-[3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[3-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[3-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[3-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[3-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)propyl]-3-methyl-xanthine Formula: C15H14Br2N8O4 MolecularWeight: 530.13086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCN3C4=C(N=C3Br)N(C(=O)NC4=O)C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCN3C4=C(N=C3Br)N(C(=O)NC4=O)C

InChI

InChI=1S/C15H14Br2N8O4/c1-22-8-6(10(26)20-14(22)28)24(12(16)18-8)4-3-5-25-7-9(19-13(25)17)23(2)15(29)21-11(7)27/h3-5H2,1-2H3,(H,20,26,28)(H,21,27,29)