3-methyl-7-[2-oxidanyl-3-[2,4,6-tris(bromanyl)phenoxy]propyl]-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[2-oxidanyl-3-[2,4,6-tris(bromanyl)phenoxy]propyl]-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-8-piperidino-xanthine Formula: C20H22Br3N5O4 MolecularWeight: 636.13178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=C(C=C(C=C4Br)Br)Br)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC(COC4=C(C=C(C=C4Br)Br)Br)O

InChI

InChI=1S/C20H22Br3N5O4/c1-26-17-15(18(30)25-20(26)31)28(19(24-17)27-5-3-2-4-6-27)9-12(29)10-32-16-13(22)7-11(21)8-14(16)23/h7-8,12,29H,2-6,9-10H2,1H3,(H,25,30,31)