8-bromanyl-7-[5-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]pentyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[5-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]pentyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[5-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)pentyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[5-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)pentyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[5-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)pentyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[5-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)pentyl]-3-methyl-xanthine Formula: C17H18Br2N8O4 MolecularWeight: 558.18402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCCN3C4=C(N=C3Br)N(C(=O)NC4=O)C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCCN3C4=C(N=C3Br)N(C(=O)NC4=O)C

InChI

InChI=1S/C17H18Br2N8O4/c1-24-10-8(12(28)22-16(24)30)26(14(18)20-10)6-4-3-5-7-27-9-11(21-15(27)19)25(2)17(31)23-13(9)29/h3-7H2,1-2H3,(H,22,28,30)(H,23,29,31)