8-bromanyl-7-[4-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]butyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[4-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]butyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[4-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)butyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[4-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)butyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[4-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)butyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[4-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)butyl]-3-methyl-xanthine Formula: C16H16Br2N8O4 MolecularWeight: 544.15744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCN3C4=C(N=C3Br)N(C(=O)NC4=O)C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCN3C4=C(N=C3Br)N(C(=O)NC4=O)C

InChI

InChI=1S/C16H16Br2N8O4/c1-23-9-7(11(27)21-15(23)29)25(13(17)19-9)5-3-4-6-26-8-10(20-14(26)18)24(2)16(30)22-12(8)28/h3-6H2,1-2H3,(H,21,27,29)(H,22,28,30)